data_[In20Ga8Hg8]
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 [Ima2]
_cell_length_a [16.2030]
_cell_length_b [8.2065]
_cell_length_c [7.1999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [In5(GaHg)2]
_chemical_formula_sum '[In20 Ga8 Hg8]'
_cell_volume [957.3683]
_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  8  0.0864  0.1983  0.2418  1.0
  In  In1  8  0.1543  0.7377  0.3176  1.0
  In  In2  4  0.2500  0.1055  0.5778  1.0
  Ga  Ga3  8  0.0789  0.5277  0.0538  1.0
  Hg  Hg4  4  0.0000  0.0000  0.9528  1.0
  Hg  Hg5  4  0.2500  0.0182  0.0791  1.0
]