data_CoCu2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   4.5
_cell_angle_alpha   106.39
_cell_angle_beta   106.39
_cell_angle_gamma   44.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCu2Bi
_chemical_formula_sum   'Co1 Cu2 Bi1'
_cell_volume   63.72
_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  0.97  0.0  0.96  1.0
  Cu  Cu2  1  0.67  0.0  0.22  1.0
  Cu  Cu3  1  0.13  0.0  0.49  1.0
  Bi  Bi0  1  0.53  0.0  0.04  1.0

data_CoCu2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   4.5
_cell_length_c   4.59
_cell_angle_alpha   106.39
_cell_angle_beta   112.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCu2Bi
_chemical_formula_sum   'Co1 Cu2 Bi1'
_cell_volume   63.72
_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  0.96  0.97  1.0
  Cu  Cu1  1  0.0  0.22  0.67  1.0
  Cu  Cu2  1  0.0  0.49  0.13  1.0
  Bi  Bi3  1  0.0  0.04  0.53  1.0

Co Cu Cu Bi
Co Cu Cu Bi 0 3 o o + 0 3 + o + 0 1 o o + 0 2 + o o 0 2 + o + 1 3 o o o 1 2 + o o 2 3 o o + 