data_[Ba12As4Pd4]
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 [P2_1/c]
_cell_length_a [9.7320]
_cell_length_b [8.6323]
_cell_length_c [9.1819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2701]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba3AsPd]
_chemical_formula_sum '[Ba12 As4 Pd4]'
_cell_volume [761.3025]
_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  0.0694  0.5005  0.7119  1
  Ba  Ba1  4  0.2914  0.6299  0.0938  1
  Ba  Ba2  4  0.3687  0.2004  0.9873  1
  As  As3  4  0.4175  0.5559  0.7705  1
  Pd  Pd4  4  0.0519  0.1683  0.5161  1
]