data_CeGaPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08
_cell_length_b   4.5
_cell_length_c   7.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeGaPd
_chemical_formula_sum   'Ce4 Ga4 Pd4'
_cell_volume   249.83
_cell_formula_units_Z   4
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  0.95  0.13  0.51  1.0
  Ce  Ce1  1  0.41  0.13  0.25  1.0
  Ce  Ce2  1  0.13  0.38  0.33  1.0
  Ce  Ce3  1  0.67  0.38  0.59  1.0
  Ga  Ga4  1  0.29  0.13  0.3  1.0
  Ga  Ga5  1  0.83  0.13  0.62  1.0
  Ga  Ga6  1  0.79  0.38  0.54  1.0
  Ga  Ga7  1  0.25  0.38  0.22  1.0
  Pd  Pd8  1  0.56  0.13  0.73  1.0
  Pd  Pd9  1  0.1  0.13  0.19  1.0
  Pd  Pd10  1  0.52  0.38  0.11  1.0
  Pd  Pd11  1  0.98  0.38  0.65  1.0

data_CeGaPd
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.5
_cell_length_b   7.08
_cell_length_c   7.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CeGaPd
_chemical_formula_sum   'Ce4 Ga4 Pd4'
_cell_volume   249.83
_cell_formula_units_Z   4
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
  Ce  Ce0  2  0.37  0.41  0.59  1.0
  Ce  Ce1  2  0.37  0.87  0.33  1.0
  Ga  Ga2  2  0.37  0.29  0.7  1.0
  Ga  Ga3  2  0.37  0.75  0.38  1.0
  Pd  Pd4  2  0.37  0.02  0.81  1.0
  Pd  Pd5  2  0.37  0.56  0.27  1.0

Ce Ce Ce Ce Ga Ga Ga Ga Pd Pd Pd Pd
Ce Ce Ce Ce Ga Ga Ga Ga Pd Pd Pd Pd 0 5 o o o 0 11 o o o 1 4 o o o 1 10 o o o 2 7 o o o 2 9 o o o 3 6 o o o 3 8 o o o 4 7 o o o 4 9 o o o 5 6 o o o 5 8 o o o 5 11 o o o 6 11 o o o 7 9 o o o 7 10 o o o 