data_[Ba8As4Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [11.7974]
_cell_length_b [4.5889]
_cell_length_c [11.9294]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2804]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2AsPd2]
_chemical_formula_sum '[Ba8 As4 Pd8]'
_cell_volume [593.2468]
_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
[
  Ba  Ba0  4  0.0994  0.0000  0.8926  1
  Ba  Ba1  4  0.2017  0.5000  0.6334  1
  As  As2  4  0.0640  0.5000  0.3237  1
  Pd  Pd3  4  0.0354  0.0000  0.4021  1
  Pd  Pd4  4  0.0913  0.5000  0.1194  1
]