data_[Cr4H4Se12O32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.7206]
_cell_length_b [11.0891]
_cell_length_c [7.4093]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CrHSe3O8]
_chemical_formula_sum '[Cr4 H4 Se12 O32]'
_cell_volume [716.5101]
_cell_formula_units_Z [4]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Cr  Cr0  4  0.0000  0.0000  0.0000  1
  H  H1  4  0.1361  0.2500  0.4746  1
  Se  Se2  8  0.2169  0.6041  0.2956  1
  Se  Se3  4  0.0059  0.7500  0.7943  1
  O  O4  8  0.1088  0.1313  0.1399  1
  O  O5  8  0.1151  0.0280  0.7723  1
  O  O6  8  0.1647  0.6130  0.0737  1
  O  O7  4  0.0254  0.2500  0.4451  1
  O  O8  4  0.1855  0.2500  0.7997  1
]