data_CrPdPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   135.93
_cell_angle_beta   135.93
_cell_angle_gamma   64.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPdPb2
_chemical_formula_sum   'Cr1 Pd1 Pb2'
_cell_volume   86.51
_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  0.0  1.0
  Pd  Pd3  1  0.0  0.12  0.4  1.0
  Pb  Pb1  1  0.12  0.0  0.4  1.0
  Pb  Pb2  1  0.0  0.0  0.8  1.0

data_CrPdPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   5.66
_cell_angle_alpha   112.03
_cell_angle_beta   112.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPdPb2
_chemical_formula_sum   'Cr1 Pd1 Pb2'
_cell_volume   86.51
_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  0.0  1.0
  Pd  Pd1  1  0.28  0.4  0.28  1.0
  Pb  Pb2  1  0.4  0.28  0.28  1.0
  Pb  Pb3  1  0.8  0.8  0.8  1.0

Cr Pd Pb Pb