data_CrPdPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   139.25
_cell_angle_beta   139.25
_cell_angle_gamma   58.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPdPb
_chemical_formula_sum   'Cr1 Pd1 Pb1'
_cell_volume   57.52
_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  0.08  1.0
  Pd  Pd2  1  0.0  0.0  0.92  1.0
  Pb  Pb1  1  0.0  0.0  0.96  1.0

data_CrPdPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   119.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrPdPb
_chemical_formula_sum   'Cr2 Pd2 Pb2'
_cell_volume   115.03
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.92  1.0
  Pd  Pd1  2  0.0  0.0  0.08  1.0
  Pb  Pb2  2  0.0  0.0  0.04  1.0

Cr Pd Pb
Cr Pd Pb 0 2 o o - 1 2 o o o 