data_[In24Ga4Hg10]
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 [18.6584]
_cell_length_b [6.8997]
_cell_length_c [9.6720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1954]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In12Ga2Hg5]
_chemical_formula_sum '[In24 Ga4 Hg10]'
_cell_volume [1076.1999]
_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  8  0.1556  0.2283  0.0002  1.0
  In  In1  8  0.1695  0.2368  0.5305  1.0
  In  In2  4  0.0006  0.5000  0.3203  1.0
  In  In3  4  0.0300  0.0000  0.2211  1.0
  Ga  Ga4  4  0.0000  0.3144  0.0000  1.0
  Hg  Hg5  4  0.1685  0.5000  0.2621  1.0
  Hg  Hg6  4  0.1845  0.5000  0.7880  1.0
  Hg  Hg7  2  0.0000  0.0000  0.5000  1.0
]