data_[Ba2As4Pd4]
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/m]
_cell_length_a [4.5918]
_cell_length_b [4.5836]
_cell_length_c [10.2789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0682]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba(AsPd)2]
_chemical_formula_sum '[Ba2 As4 Pd4]'
_cell_volume [216.3367]
_cell_formula_units_Z [2]
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  2  0.2489  0.7500  0.7489  1.0
  As  As1  2  0.2438  0.7500  0.1260  1.0
  As  As2  2  0.2489  0.2500  0.5001  1.0
  Pd  Pd3  2  0.2510  0.7500  0.3845  1.0
  Pd  Pd4  2  0.2664  0.2500  0.0004  1.0
]