data_CrCuPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   5.63
_cell_length_c   5.63
_cell_angle_alpha   37.98
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCuPb2
_chemical_formula_sum   'Cr1 Cu1 Pb2'
_cell_volume   86.52
_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
  Cr  Cr0  1  0.0  0.0  0.88  1.0
  Cu  Cu1  1  0.22  0.0  0.43  1.0
  Pb  Pb2  1  0.0  0.0  0.55  1.0
  Pb  Pb3  1  0.22  0.0  0.42  1.0

data_CrCuPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   4.44
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   108.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCuPb2
_chemical_formula_sum   'Cr1 Cu1 Pb2'
_cell_volume   86.52
_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
  Cr  Cr0  1  0.12  0.0  0.12  1.0
  Cu  Cu1  1  0.57  0.22  0.57  1.0
  Pb  Pb2  1  0.45  0.0  0.45  1.0
  Pb  Pb3  1  0.58  0.22  0.58  1.0

Cr Cu Pb Pb