data_[Cs4P8Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.3307]
_cell_length_b [4.0284]
_cell_length_c [9.3295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5510]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsP2Pd3]
_chemical_formula_sum '[Cs4 P8 Pd12]'
_cell_volume [532.1209]
_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
[
  Cs  Cs0  4  0.1472  0.0000  0.0599  1.0
  P  P1  4  0.0230  0.5000  0.2411  1.0
  P  P2  4  0.1777  0.0000  0.6233  1.0
  Pd  Pd3  4  0.0479  0.0000  0.3795  1.0
  Pd  Pd4  4  0.0894  0.5000  0.6402  1.0
  Pd  Pd5  4  0.1843  0.5000  0.4369  1.0
]