data_[Ba4As4Pd16]
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 [10.3859]
_cell_length_b [7.1302]
_cell_length_c [7.1318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9165]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaAsPd4]
_chemical_formula_sum '[Ba4 As4 Pd16]'
_cell_volume [496.5459]
_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  0.1688  0.0000  0.7808  1
  As  As1  4  0.0797  0.5000  0.7677  1
  Pd  Pd2  8  0.1136  0.3028  0.4280  1
  Pd  Pd3  4  0.0000  0.2875  0.0000  1
  Pd  Pd4  4  0.1873  0.0000  0.2490  1
]