data_[In24Ga4Hg28]
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 [Ibam]
_cell_length_a [6.0261]
_cell_length_b [15.0571]
_cell_length_c [16.3795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [In6GaHg7]
_chemical_formula_sum '[In24 Ga4 Hg28]'
_cell_volume [1486.2032]
_cell_formula_units_Z [4]
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  16  0.2095  0.3231  0.1756  1
  In  In1  8  0.0344  0.7211  0.0000  1
  Ga  Ga2  4  0.0000  0.0000  0.2500  1
  Hg  Hg3  16  0.1784  0.1111  0.1208  1
  Hg  Hg4  8  0.2398  0.4548  0.0000  1
  Hg  Hg5  4  0.0000  0.5000  0.2500  1
]