data_[Ba14Tl2Pt4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tl  1.6200  1.9000  1.3325
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [6.4529]
_cell_length_b [25.6466]
_cell_length_c [6.4621]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Ba7Tl(PtAu)2]
_chemical_formula_sum '[Ba14 Tl2 Pt4 Au4]'
_cell_volume [1069.4451]
_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  0.0000  0.1165  0.4977  1.0
  Ba  Ba1  4  0.0000  0.2603  0.9972  1.0
  Ba  Ba2  4  0.0000  0.3841  0.4969  1.0
  Ba  Ba3  2  0.0000  0.5000  0.9883  1.0
  Tl  Tl4  2  0.0000  0.0000  0.0390  1.0
  Pt  Pt5  4  0.0000  0.3819  0.9973  1.0
  Au  Au6  4  0.0000  0.2503  0.4971  1.0
]