data_global
_chemical_name_mineral 'Kapustinite'
loop_
_publ_author_name
'Yamnova N A'
'Egorov-Tismenko Y K'
'Pekov I V'
'Shchegol'kova L V'
_journal_name_full 'Doklady Akademii Nauk SSSR'
_journal_volume 396 
_journal_year 2004
_journal_page_first 680
_journal_page_last 685
_publ_section_title
;
 Crystal structure of kapustinite Na5.5Mn0.25Zr[Si6O16(OH)2] - a new mineral of
 the lovozerite group
;
_database_code_amcsd 0012498
_chemical_formula_sum 'Na5.29 Nd.1 Zr.91 Mn.24 Ti.05 Si6 O18 H3'
_cell_length_a 10.69
_cell_length_b 10.31
_cell_length_c 7.407
_cell_angle_alpha 90
_cell_angle_beta 92.4
_cell_angle_gamma 90
_cell_volume 815.638
_exptl_crystal_density_diffrn      2.826
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-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
NaA1   0.00000   0.00000   0.50000   0.96000   0.03546
NdA1   0.00000   0.00000   0.50000   0.04000   0.03546
NaA2   0.25000   0.25000   0.00000   0.97000   0.02913
NdA2   0.25000   0.25000   0.00000   0.03000   0.02913
NaB1   0.00000   0.50000   0.00000   0.75000   0.03040
NaB2   0.25000   0.25000   0.50000   0.82000   0.03166
ZrC   0.25080   0.00000   0.74710   0.13000   0.01393
MnC   0.25080   0.00000   0.74710   0.12000   0.01393
ZrM   0.00000   0.00000   0.00000   0.65000   0.01393
TiM   0.00000   0.00000   0.00000   0.05000   0.01393
Si1   0.49110   0.22590   0.28290   1.00000   0.01646
Si2   0.28530   0.00000   0.26640   1.00000   0.01672
O1   0.81400   0.00000   0.92100   0.50000   0.03673
O-H1   0.81400   0.00000   0.92100   0.50000   0.03673
O2   0.78500   0.00000   0.55700   1.00000   0.02913
O3   0.62400   0.12340   0.75600   1.00000   0.03420
O4   0.05200   0.13900   0.80800   1.00000   0.03166
O5   0.61600   0.16800   0.21300   0.50000   0.03926
O-H5   0.61600   0.16800   0.21300   0.50000   0.03926
O6   0.00000   0.24900   0.50000   1.00000   0.03293