data_Co3Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   4.64
_cell_angle_alpha   133.01
_cell_angle_beta   130.14
_cell_angle_gamma   70.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co3Bi
_chemical_formula_sum   'Co3 Bi1'
_cell_volume   54.75
_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  Co1  1  0.0  0.0  0.0  1.0
  Co  Co2  1  0.85  0.0  0.87  1.0
  Co  Co3  1  0.0  0.96  0.91  1.0
  Bi  Bi0  1  0.0  0.0  0.78  1.0

data_Co3Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   3.91
_cell_length_c   4.64
_cell_angle_alpha   114.93
_cell_angle_beta   113.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co3Bi
_chemical_formula_sum   'Co3 Bi1'
_cell_volume   54.75
_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  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.09  0.04  0.04  1.0
  Co  Co2  1  0.98  0.13  0.98  1.0
  Bi  Bi3  1  0.22  0.22  0.22  1.0

Co Co Co Bi