data_Cu2BiPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   5.95
_cell_angle_alpha   139.71
_cell_angle_beta   139.71
_cell_angle_gamma   58.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2BiPb
_chemical_formula_sum   'Cu2 Bi1 Pb1'
_cell_volume   87.24
_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  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.05  0.0  0.6  1.0
  Bi  Bi0  1  0.0  0.05  0.6  1.0
  Pb  Pb3  1  0.0  0.0  0.2  1.0

data_Cu2BiPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   5.95
_cell_angle_alpha   110.15
_cell_angle_beta   110.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2BiPb
_chemical_formula_sum   'Cu2 Bi1 Pb1'
_cell_volume   87.24
_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  Cu0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.4  0.0  0.45  1.0
  Bi  Bi2  1  0.45  0.05  0.45  1.0
  Pb  Pb3  1  0.8  0.0  0.8  1.0

Cu Cu Bi Pb
Cu Cu Bi Pb 0 3 o o o 1 2 o o o 