data_CuAsPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   6.12
_cell_angle_alpha   150.56
_cell_angle_beta   145.29
_cell_angle_gamma   46.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAsPb
_chemical_formula_sum   'Cu1 As1 Pb1'
_cell_volume   64.0
_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
  Cu  Cu1  1  0.0  0.0  0.23  1.0
  As  As0  1  0.0  0.0  0.7  1.0
  Pb  Pb2  1  0.0  0.0  0.61  1.0

data_CuAsPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   3.65
_cell_length_c   6.12
_cell_angle_alpha   107.35
_cell_angle_beta   104.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAsPb
_chemical_formula_sum   'Cu1 As1 Pb1'
_cell_volume   64.0
_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
  Cu  Cu0  1  0.77  0.77  0.77  1.0
  As  As1  1  0.3  0.3  0.3  1.0
  Pb  Pb2  1  0.39  0.39  0.39  1.0

Cu As Pb
Cu As Pb 0 2 o o o 0 1 o o o 1 2 o o o 