data_CuSiPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93
_cell_length_b   4.67
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSiPb2
_chemical_formula_sum   'Cu1 Si1 Pb2'
_cell_volume   91.64
_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  0.34  0.49  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.97  0.34  0.0  1.0
  Pb  Pb2  1  0.97  0.0  0.49  1.0

data_CuSiPb2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.93
_cell_length_b   4.98
_cell_length_c   4.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CuSiPb2
_chemical_formula_sum   'Cu1 Si1 Pb2'
_cell_volume   91.64
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.5  0.34  1.0
  Pb  Pb2  1  0.97  0.0  0.34  1.0
  Pb  Pb3  1  0.97  0.5  0.0  1.0

Cu Si Pb Pb