data_global
_chemical_name_mineral 'Labuntsovite-Mn'
loop_
_publ_author_name
'Golovastikov N I'
_journal_name_full 'Soviet Physics Crystallography'
_journal_volume 18 
_journal_year 1973
_journal_page_first 950
_journal_page_last 955
_publ_section_title
;
 Crystal structure of the alkali titanosilicate labuntsovite
 Sample: double cell
;
_database_code_amcsd 0015562
_chemical_formula_sum 'Ti8.22 Nb.5 Si16 K4.61 Na2.736 O64.836 H15.672'
_cell_length_a 14.18
_cell_length_b 15.48
_cell_length_c 13.7
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 117
_cell_volume 2679.468
_exptl_crystal_density_diffrn      2.709
_symmetry_space_group_name_H-M 'B 1 1 2/m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,y,1/2+z'
  '-x,-y,z'
  '1/2-x,-y,1/2+z'
  'x,y,-z'
  '1/2+x,y,1/2-z'
  '-x,-y,-z'
  '1/2-x,-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ti1   0.00000   0.00000   0.00000   0.50000   0.01184
Nb1   0.00000   0.00000   0.00000   0.50000   0.01184
Ti2   0.00000   0.00000   0.22910   0.95000   0.01349
Ti2*   0.00000   0.50000   0.22910   0.95000   0.01349
Ti3   0.25000   0.00000   0.25000   0.98000   0.01298
Ti3*   0.25000   0.50000   0.25000   0.98000   0.01298
Si1   0.18060   0.12530   0.38890   1.00000   0.01126
Si1*   0.18060   0.62530   0.38890   1.00000   0.01126
Si2   0.20770   0.15140   0.11050   1.00000   0.00997
Si2*   0.20770   0.65140   0.11050   1.00000   0.00997
K1   0.08920   0.42320   0.00000   1.00000   0.02168
K2   0.08070   0.40130   0.50000   0.65250   0.02948
K2*   0.08070   0.90130   0.50000   0.65250   0.02948
Na   0.08890   0.74530   0.23550   0.68400   0.02639
O1   0.09790   0.44400   0.22620   1.00000   0.02006
O1*   0.09790   0.94400   0.22620   1.00000   0.02006
O2   0.08150   0.08590   0.11880   1.00000   0.01107
O2*   0.08150   0.58590   0.11880   1.00000   0.01107
O3   0.08190   0.09790   0.32120   1.00000   0.01493
O3*   0.08190   0.59790   0.32120   1.00000   0.01493
O4   0.23650   0.05640   0.37390   1.00000   0.02285
O4*   0.23650   0.55640   0.37390   1.00000   0.02285
O5   0.23310   0.26230   0.12870   1.00000   0.01920
O5*   0.23310   0.76230   0.12870   1.00000   0.01920
O6   0.22710   0.38150   0.31820   1.00000   0.01263
O6*   0.22710   0.88150   0.31820   1.00000   0.01263
O7   0.24560   0.14180   0.00000   1.00000   0.01393
O7*   0.24560   0.64180   0.00000   1.00000   0.01393
O8   0.13730   0.11440   0.50000   1.00000   0.01455
O8*   0.13730   0.61440   0.50000   1.00000   0.01455
O-H   0.08920   0.92320   0.00000   1.00000   0.02168
Wat1   0.01820   0.25460   0.11610   0.83400   0.03100
Wat2   0.02310   0.25300   0.34440   0.87500   0.03257