data_[In34Ga2Hg22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.6556]
_cell_length_b [15.7326]
_cell_length_c [9.5173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1723]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [In17GaHg11]
_chemical_formula_sum '[In34 Ga2 Hg22]'
_cell_volume [1552.5995]
_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  4  0.0917  0.3254  0.0312  1
  In  In1  4  0.1974  0.2079  0.6552  1
  In  In2  4  0.3049  0.3188  0.4058  1
  In  In3  4  0.3492  0.3156  0.0021  1
  In  In4  4  0.4554  0.1597  0.6372  1
  In  In5  4  0.4966  0.1874  0.3124  1
  In  In6  2  0.1242  0.5000  0.2928  1
  In  In7  2  0.2572  0.0000  0.6347  1
  In  In8  2  0.3940  0.0000  0.3949  1
  In  In9  2  0.4502  0.5000  0.5950  1
  In  In10  2  0.4967  0.5000  0.0045  1
  Ga  Ga11  2  0.3028  0.5000  0.1480  1
  Hg  Hg12  4  0.0266  0.1583  0.8137  1
  Hg  Hg13  4  0.0314  0.1056  0.3545  1
  Hg  Hg14  4  0.2020  0.1396  0.1984  1
  Hg  Hg15  4  0.2209  0.4055  0.6608  1
  Hg  Hg16  4  0.3292  0.0958  0.9694  1
  Hg  Hg17  2  0.0763  0.5000  0.8512  1
]