data_CrPd2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   3.77
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPd2Pb
_chemical_formula_sum   'Cr1 Pd2 Pb1'
_cell_volume   67.87
_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  0.77  1.0
  Pd  Pd2  1  0.0  0.0  0.13  1.0
  Pd  Pd3  1  0.48  0.88  0.66  1.0
  Pb  Pb1  1  0.48  0.88  0.55  1.0

data_CrPd2Pb
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.77
_cell_length_b   2.97
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CrPd2Pb
_chemical_formula_sum   'Cr1 Pd2 Pb1'
_cell_volume   67.87
_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
  Cr  Cr0  1  0.0  0.0  0.77  1.0
  Pd  Pd1  1  0.0  0.0  0.13  1.0
  Pd  Pd2  1  0.88  0.5  0.66  1.0
  Pb  Pb3  1  0.88  0.5  0.55  1.0

Cr Pd Pd Pb
Cr Pd Pd Pb 0 2 - - o 0 2 o - o 0 3 o - o 0 1 o o + 2 3 o o o 