data_[Ba4Sn2Pt2Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sn  1.9600  1.4500  0.8300
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4648]
_cell_length_b [5.7787]
_cell_length_c [9.3056]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.1343]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2SnPtAu6]
_chemical_formula_sum '[Ba4 Sn2 Pt2 Au12]'
_cell_volume [528.3830]
_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  0.2317  0.5000  0.6902  1
  Sn  Sn1  2  0.0000  0.5000  0.0000  1
  Pt  Pt2  2  0.0000  0.0000  0.5000  1
  Au  Au3  8  0.0102  0.2431  0.7628  1
  Au  Au4  4  0.2455  0.0000  0.8863  1
]