data_CoCuBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   41.55
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCuBi2
_chemical_formula_sum   'Co1 Cu1 Bi2'
_cell_volume   80.0
_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  Co2  1  0.0  0.0  0.08  1.0
  Cu  Cu3  1  0.06  0.0  0.55  1.0
  Bi  Bi0  1  0.0  0.0  0.14  1.0
  Bi  Bi1  1  0.06  0.0  0.43  1.0

data_CoCuBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   4.12
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   110.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCuBi2
_chemical_formula_sum   'Co1 Cu1 Bi2'
_cell_volume   80.0
_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  0.92  0.0  0.92  1.0
  Cu  Cu1  1  0.45  0.06  0.45  1.0
  Bi  Bi2  1  0.57  0.06  0.57  1.0
  Bi  Bi3  1  0.86  0.0  0.86  1.0

Co Cu Bi Bi