data_[Cs4As4Pd6]
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 [13.5689]
_cell_length_b [4.0955]
_cell_length_c [8.3751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5928]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2As2Pd3]
_chemical_formula_sum '[Cs4 As4 Pd6]'
_cell_volume [383.1332]
_cell_formula_units_Z [2]
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  0.1222  0.0000  0.7653  1
  As  As1  4  0.1458  0.0000  0.2215  1
  Pd  Pd2  4  0.1710  0.5000  0.4022  1
  Pd  Pd3  2  0.0000  0.5000  0.0000  1
]