data_Cu2BiPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   3.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2BiPb
_chemical_formula_sum   'Cu2 Bi1 Pb1'
_cell_volume   85.5
_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
  Cu  Cu1  1  0.74  0.24  0.74  1.0
  Cu  Cu2  1  0.74  0.76  0.74  1.0
  Bi  Bi0  1  0.47  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.0  1.0

data_Cu2BiPb
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.49
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Cu2BiPb
_chemical_formula_sum   'Cu2 Bi1 Pb1'
_cell_volume   85.51
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Cu  Cu0  2  0.74  0.24  0.74  1.0
  Bi  Bi1  1  0.0  0.0  0.47  1.0
  Pb  Pb2  1  0.0  0.0  0.0  1.0

Cu Cu Bi Pb