data_[Ce4P12Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [11.7916]
_cell_length_b [5.4619]
_cell_length_c [5.6075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [CeP3Pd]
_chemical_formula_sum '[Ce4 P12 Pd4]'
_cell_volume [361.1479]
_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  4  0.3134  0.5036  0.2500  1
  P  P1  4  0.0769  0.6295  0.2500  1
  P  P2  4  0.2313  0.0003  0.2500  1
  P  P3  4  0.4990  0.2500  0.0000  1
  Pd  Pd4  4  0.0806  0.2500  0.0000  1
]