data_[Co8Bi32Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [11.1860]
_cell_length_b [11.1860]
_cell_length_c [9.5644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Co2Bi8Se]
_chemical_formula_sum '[Co8 Bi32 Se4]'
_cell_volume [1196.7581]
_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
[
  Co  Co0  8  0.2068  0.2068  0.2360  1
  Bi  Bi1  16  0.0519  0.7056  0.1965  1
  Bi  Bi2  4  0.0000  0.0000  0.3261  1
  Bi  Bi3  4  0.1060  0.1060  0.0000  1
  Bi  Bi4  4  0.1850  0.1850  0.5000  1
  Bi  Bi5  4  0.1950  0.8050  0.5000  1
  Se  Se6  4  0.0000  0.5000  0.0000  1
]