data_[Ba4Sb8Pd12]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.6393]
_cell_length_b [4.5600]
_cell_length_c [7.9297]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1369]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaSb2Pd3]
_chemical_formula_sum '[Ba4 Sb8 Pd12]'
_cell_volume [577.4180]
_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  0.1513  0.0000  0.0747  1
  Sb  Sb1  4  0.0249  0.5000  0.2080  1
  Sb  Sb2  4  0.1824  0.0000  0.6516  1
  Pd  Pd3  4  0.0304  0.0000  0.3693  1
  Pd  Pd4  4  0.0905  0.5000  0.6524  1
  Pd  Pd5  4  0.1903  0.5000  0.4529  1
]