data_[Co7Bi2]
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
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [2.9316]
_cell_length_b [2.9316]
_cell_length_c [19.5533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Co7Bi2]
_chemical_formula_sum '[Co7 Bi2]'
_cell_volume [145.5334]
_cell_formula_units_Z [1]
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  0.2654  1
  Co  Co1  2  0.3333  0.6667  0.9108  1
  Co  Co2  2  0.3333  0.6667  0.1776  1
  Co  Co3  1  0.0000  0.0000  0.0000  1
  Bi  Bi4  2  0.3333  0.6667  0.6197  1
]