data_[Ba2Sb4Pt3Au1]
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
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.8750]
_cell_length_b [4.8750]
_cell_length_c [10.6965]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ba2Sb4Pt3Au]
_chemical_formula_sum '[Ba2 Sb4 Pt3 Au1]'
_cell_volume [254.2077]
_cell_formula_units_Z [1]
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  0.0000  0.5000  0.7447  1.0
  Sb  Sb1  2  0.0000  0.5000  0.3701  1.0
  Sb  Sb2  1  0.0000  0.0000  0.0000  1.0
  Sb  Sb3  1  0.5000  0.5000  0.0000  1.0
  Pt  Pt4  2  0.0000  0.5000  0.1161  1.0
  Pt  Pt5  1  0.0000  0.0000  0.5000  1.0
  Au  Au6  1  0.5000  0.5000  0.5000  1.0
]