data_[In2Pt8Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2_1/m]
_cell_length_a [4.9248]
_cell_length_b [5.7840]
_cell_length_c [7.0676]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1920]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [InPt4Au]
_chemical_formula_sum '[In2 Pt8 Au2]'
_cell_volume [201.1724]
_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
[
  In  In0  2  0.1796  0.7500  0.3335  1.0
  Pt  Pt1  4  0.3256  0.5005  0.6734  1.0
  Pt  Pt2  2  0.0000  0.0000  0.0000  1.0
  Pt  Pt3  2  0.4984  0.7500  0.9992  1.0
  Au  Au4  2  0.1768  0.2500  0.3367  1.0
]