data_[Cs4As4Pd4]
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 [11.1985]
_cell_length_b [4.5246]
_cell_length_c [9.3160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4554]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsAsPd]
_chemical_formula_sum '[Cs4 As4 Pd4]'
_cell_volume [389.2212]
_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  0.0613  0.0000  0.3325  1.0
  As  As1  4  0.1472  0.5000  0.0909  1.0
  Pd  Pd2  4  0.2332  0.0000  0.0730  1.0
]