data_CaPd2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   5.19
_cell_angle_alpha   117.08
_cell_angle_beta   117.08
_cell_angle_gamma   54.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPd2Pb
_chemical_formula_sum   'Ca1 Pd2 Pb1'
_cell_volume   86.2
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.19  0.0  0.98  1.0
  Pd  Pd3  1  0.83  0.0  0.48  1.0
  Pb  Pb1  1  0.01  0.0  0.23  1.0

data_CaPd2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.46
_cell_length_b   4.87
_cell_length_c   5.19
_cell_angle_alpha   117.08
_cell_angle_beta   90.0
_cell_angle_gamma   117.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPd2Pb
_chemical_formula_sum   'Ca1 Pd2 Pb1'
_cell_volume   86.2
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.17  0.52  1.0
  Pd  Pd2  1  0.0  0.81  0.02  1.0
  Pb  Pb3  1  0.0  0.99  0.77  1.0

Ca Pd Pd Pb