data_[In1Hg1Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.7317]
_cell_length_b [4.2717]
_cell_length_c [5.7110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9895]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [InHgAu2]
_chemical_formula_sum '[In1 Hg1 Au2]'
_cell_volume [88.3376]
_cell_formula_units_Z [1]
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  1  0.4069  0.5000  0.1836  1.0
  Hg  Hg1  1  0.0912  0.0000  0.5682  1.0
  Au  Au2  1  0.6317  0.5000  0.7032  1.0
  Au  Au3  1  0.8702  0.0000  0.0449  1.0
]