data_CoBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.4
_cell_length_b   7.4
_cell_length_c   4.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoBi2
_chemical_formula_sum   'Co3 Bi6'
_cell_volume   204.83
_cell_formula_units_Z   3
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  Co6  1  0.0  0.27  0.16  1.0
  Co  Co7  1  0.7  0.14  0.16  1.0
  Co  Co8  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.99  0.0  0.16  1.0
  Bi  Bi1  1  0.0  0.73  0.16  1.0
  Bi  Bi2  1  0.7  0.68  0.16  1.0
  Bi  Bi3  1  0.5  0.0  0.0  1.0
  Bi  Bi4  1  0.75  0.9  0.0  1.0
  Bi  Bi5  1  0.45  0.51  0.0  1.0

data_CoBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.32
_cell_length_b   7.4
_cell_length_c   7.4
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoBi2
_chemical_formula_sum   'Co3 Bi6'
_cell_volume   204.83
_cell_formula_units_Z   3
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  0.16  -0.0  0.27  1.0
  Co  Co2  1  0.16  0.7  0.14  1.0
  Bi  Bi3  1  0.0  0.5  0.0  1.0
  Bi  Bi4  1  0.0  0.45  0.51  1.0
  Bi  Bi5  1  0.0  0.75  0.9  1.0
  Bi  Bi6  1  0.16  0.0  0.73  1.0
  Bi  Bi7  1  0.16  0.7  0.68  1.0
  Bi  Bi8  1  0.16  0.99  0.0  1.0

Co Co Co Bi Bi Bi Bi Bi Bi