data_[Ba8Sb4As4Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sb  2.0500  1.4500  0.8300
  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 [10.3446]
_cell_length_b [9.2514]
_cell_length_c [6.5375]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3943]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba4Sb2As2Pd]
_chemical_formula_sum '[Ba8 Sb4 As4 Pd2]'
_cell_volume [624.5519]
_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  8  0.1400  0.2579  0.2352  1
  Sb  Sb1  4  0.1065  0.5000  0.6632  1
  As  As2  4  0.0909  0.0000  0.8661  1
  Pd  Pd3  2  0.0000  0.0000  0.5000  1
]