data_[In2Ag4Hg2]
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 [Cm]
_cell_length_a [10.8526]
_cell_length_b [3.2751]
_cell_length_c [5.2376]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6067]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [InAg2Hg]
_chemical_formula_sum '[In2 Ag4 Hg2]'
_cell_volume [167.8779]
_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  0.2391  0.5000  0.1776  1.0
  Ag  Ag1  2  0.2617  0.0000  0.6785  1.0
  Ag  Ag2  2  0.4873  0.5000  0.0687  1.0
  Hg  Hg3  2  0.0119  0.5000  0.5751  1.0
]