data_[In1Ag1Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.9309]
_cell_length_b [4.1806]
_cell_length_c [5.8837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3362]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [InAgHg2]
_chemical_formula_sum '[In1 Ag1 Hg2]'
_cell_volume [96.2695]
_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  0.9873  0.0000  0.4910  1.0
  Ag  Ag1  1  0.4982  0.5000  0.2519  1.0
  Hg  Hg2  1  0.0125  0.0000  0.0044  1.0
  Hg  Hg3  1  0.5020  0.5000  0.7527  1.0
]