data_[Co2Bi4Se2O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4864]
_cell_length_b [5.8282]
_cell_length_c [9.5444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6674]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CoBi2SeO6]
_chemical_formula_sum '[Co2 Bi4 Se2 O12]'
_cell_volume [251.0108]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1
  Bi  Bi1  4  0.2393  0.5575  0.2524  1
  Se  Se2  2  0.5000  0.0000  0.5000  1
  O  O3  4  0.1392  0.6904  0.9486  1
  O  O4  4  0.2732  0.1960  0.9515  1
  O  O5  4  0.3587  0.5340  0.7493  1
]