data_[In16Ga4Hg2]
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 [C2/m]
_cell_length_a [17.2781]
_cell_length_b [4.5244]
_cell_length_c [7.8888]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8848]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In8Ga2Hg]
_chemical_formula_sum '[In16 Ga4 Hg2]'
_cell_volume [579.9187]
_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  0.0328  0.0000  0.7445  1.0
  In  In1  4  0.0966  0.5000  0.4872  1.0
  In  In2  4  0.1703  0.0000  0.2766  1.0
  In  In3  4  0.1726  0.5000  0.9407  1.0
  Ga  Ga4  4  0.2068  0.0000  0.6895  1.0
  Hg  Hg5  2  0.0000  0.5000  0.0000  1.0
]