data_[Ba14In2Pt4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [6.4491]
_cell_length_b [25.2574]
_cell_length_c [6.4796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Ba7In(PtAu)2]
_chemical_formula_sum '[Ba14 In2 Pt4 Au4]'
_cell_volume [1055.4488]
_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  0.1124  0.4946  1.0
  Ba  Ba1  4  0.0000  0.2418  0.9963  1.0
  Ba  Ba2  4  0.0000  0.3852  0.4966  1.0
  Ba  Ba3  2  0.0000  0.0000  0.9734  1.0
  In  In4  2  0.0000  0.5000  0.0679  1.0
  Pt  Pt5  4  0.0000  0.1193  0.9957  1.0
  Au  Au6  4  0.0000  0.2487  0.4960  1.0
]