data_CeZn3Pd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   4.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeZn3Pd2
_chemical_formula_sum   'Ce1 Zn3 Pd2'
_cell_volume   108.15
_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
  Ce  Ce0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.33  0.31  0.2  1.0
  Zn  Zn2  1  0.67  0.0  0.2  1.0
  Zn  Zn3  1  0.67  0.31  0.2  1.0
  Pd  Pd4  1  0.67  0.54  0.0  1.0
  Pd  Pd5  1  0.0  0.08  0.0  1.0

data_CeZn3Pd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.39
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeZn3Pd2
_chemical_formula_sum   'Ce1 Zn3 Pd2'
_cell_volume   108.15
_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
  Ce  Ce0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.2  0.33  0.31  1.0
  Zn  Zn2  1  0.2  0.67  0.0  1.0
  Zn  Zn3  1  0.2  0.67  0.31  1.0
  Pd  Pd4  1  0.0  0.0  0.08  1.0
  Pd  Pd5  1  0.0  0.67  0.54  1.0

Ce Zn Zn Zn Pd Pd
Ce Zn Zn Zn Pd Pd 0 5 o o o 0 1 o o o 0 2 - o o 1 5 o o o 1 4 o o o 1 3 o o o 2 3 o o o 2 5 + o o 3 4 o o o 