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 1974
_journal_page_first 596
_journal_page_last 599
_publ_section_title
;
 Crystal structure of the alkali titanosilicate labuntsovite
 Sample: half-cell
;
_database_code_amcsd 0015563
_chemical_formula_sum 'Na1.37 K2.305 O32.425 Ti4.61 Si8 H7.85'
_cell_length_a 14.18
_cell_length_b 7.74
_cell_length_c 13.70
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 117.
_cell_volume 1339.734
_exptl_crystal_density_diffrn      2.711
_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
Na   0.08890   0.49070   0.23550   0.34250   0.02639
K1   0.08920   0.84640   0.00000   0.50000   0.02168
O-HK1   0.08920   0.84640   0.00000   0.50000   0.02168
K2   0.08070   0.80250   0.50000   0.65250   0.02948
Ti1   0.00000   0.00000   0.00000   0.75000   0.01184
Ti2   0.00000   0.00000   0.22910   0.95000   0.01349
Ti3   0.25000   0.00000   0.25000   0.98000   0.01298
Si1   0.18060   0.25060   0.38890   1.00000   0.01126
Si2   0.20770   0.30280   0.11050   1.00000   0.00997
O1   0.09790   0.88790   0.22620   1.00000   0.02006
O2   0.08150   0.17180   0.11880   1.00000   0.01107
O3   0.08190   0.19570   0.32120   1.00000   0.01493
O4   0.23650   0.11270   0.37390   1.00000   0.02285
O5   0.23310   0.52460   0.12870   1.00000   0.01920
O6   0.22710   0.76300   0.31820   1.00000   0.01263
O7   0.24560   0.28360   0.00000   1.00000   0.01393
O8   0.13730   0.22870   0.50000   1.00000   0.01455
Wat1   0.01820   0.50920   0.11610   0.41750   0.03100
Wat2   0.02310   0.50610   0.34440   0.43880   0.03257