data_[Ba4Sb2Pd12Pt2]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7103]
_cell_length_b [5.6190]
_cell_length_c [8.9966]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.7319]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2SbPd6Pt]
_chemical_formula_sum '[Ba4 Sb2 Pd12 Pt2]'
_cell_volume [471.9634]
_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  4  0.2293  0.0000  0.1884  1.0
  Sb  Sb1  2  0.0000  0.0000  0.5000  1.0
  Pd  Pd2  8  0.0156  0.2558  0.2734  1.0
  Pd  Pd3  4  0.2484  0.5000  0.3991  1.0
  Pt  Pt4  2  0.0000  0.5000  0.0000  1.0
]