data_[Cr6Bi8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2149]
_cell_length_b [3.8584]
_cell_length_c [7.0183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.6318]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cr3Bi4]
_chemical_formula_sum '[Cr6 Bi8]'
_cell_volume [341.0302]
_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  4  0.2493  0.0000  0.2797  1
  Cr  Cr1  2  0.0000  0.0000  0.0000  1
  Bi  Bi2  4  0.1071  0.0000  0.4536  1
  Bi  Bi3  4  0.1316  0.5000  0.9546  1
]