data_[Cs4As8Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.9043]
_cell_length_b [4.1206]
_cell_length_c [9.3211]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0306]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsAs2Pd3]
_chemical_formula_sum '[Cs4 As8 Pd12]'
_cell_volume [566.2625]
_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  0.1493  0.0000  0.0569  1.0
  As  As1  4  0.0265  0.5000  0.2326  1.0
  As  As2  4  0.1807  0.0000  0.6361  1.0
  Pd  Pd3  4  0.0485  0.0000  0.3871  1.0
  Pd  Pd4  4  0.0838  0.5000  0.6374  1.0
  Pd  Pd5  4  0.1843  0.5000  0.4445  1.0
]