data_[Cr2Bi6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.2708]
_cell_length_b [4.0300]
_cell_length_c [14.3432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9917]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cr(BiSe2)3]
_chemical_formula_sum '[Cr2 Bi6 Se12]'
_cell_volume [573.4757]
_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
[
  Cr  Cr0  2  0.0441  0.7500  0.6166  1.0
  Bi  Bi1  2  0.1050  0.7500  0.1318  1.0
  Bi  Bi2  2  0.3438  0.7500  0.9015  1.0
  Bi  Bi3  2  0.3510  0.2500  0.5474  1.0
  Se  Se4  2  0.1024  0.2500  0.2639  1.0
  Se  Se5  2  0.1099  0.7500  0.4602  1.0
  Se  Se6  2  0.1617  0.2500  0.9710  1.0
  Se  Se7  2  0.1994  0.2500  0.6923  1.0
  Se  Se8  2  0.4559  0.7500  0.1022  1.0
  Se  Se9  2  0.4736  0.2500  0.3666  1.0
]