data_[Ba4As8Pd4]
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 [Cc]
_cell_length_a [7.0075]
_cell_length_b [6.9472]
_cell_length_c [9.4835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3771]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [BaAs2Pd]
_chemical_formula_sum '[Ba4 As8 Pd4]'
_cell_volume [445.1541]
_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  0.4643  0.3920  0.0180  1
  As  As1  4  0.1942  0.2308  0.2622  1
  As  As2  4  0.4702  0.1195  0.5369  1
  Pd  Pd3  4  0.0048  0.4644  0.7860  1
]