data_CsPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   3.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsPd3
_chemical_formula_sum   'Cs1 Pd3'
_cell_volume   83.85
_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
  Cs  Cs0  1  0.09  0.0  0.0  1.0
  Pd  Pd1  1  0.55  0.16  0.57  1.0
  Pd  Pd2  1  0.55  0.84  0.57  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

data_CsPd3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   108.83
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsPd3
_chemical_formula_sum   'Cs1 Pd3'
_cell_volume   83.85
_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
  Cs  Cs0  1  0.0  0.09  0.0  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.57  0.55  0.16  1.0
  Pd  Pd3  1  0.57  0.55  0.84  1.0

Cs Pd Pd Pd