data_[Cs12As4Pd4]
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 [Cmcm]
_cell_length_a [13.5194]
_cell_length_b [16.0445]
_cell_length_c [4.9310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Cs3AsPd]
_chemical_formula_sum '[Cs12 As4 Pd4]'
_cell_volume [1069.5874]
_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  8  0.1779  0.3778  0.2500  1.0
  Cs  Cs1  4  0.0000  0.1486  0.2500  1.0
  As  As2  4  0.0000  0.3037  0.7500  1.0
  Pd  Pd3  4  0.0000  0.4527  0.7500  1.0
]