data_[Ba2In2Pt4Au2]
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 [4.2238]
_cell_length_b [4.3636]
_cell_length_c [12.8235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [BaInPt2Au]
_chemical_formula_sum '[Ba2 In2 Pt4 Au2]'
_cell_volume [236.3505]
_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  2  0.0000  0.0000  0.5493  1
  In  In1  2  0.0000  0.5000  0.3088  1
  Pt  Pt2  2  0.0000  0.0000  0.9504  1
  Pt  Pt3  2  0.0000  0.5000  0.8162  1
  Au  Au4  2  0.0000  0.0000  0.1631  1
]