data_[In3Ga2Hg8]
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 [P-1]
_cell_length_a [4.9757]
_cell_length_b [7.5215]
_cell_length_c [9.4060]
_cell_angle_alpha [107.2163]
_cell_angle_beta [93.1738]
_cell_angle_gamma [91.6710]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [In3(GaHg4)2]
_chemical_formula_sum '[In3 Ga2 Hg8]'
_cell_volume [335.3460]
_cell_formula_units_Z [1]
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  2  0.0090  0.7280  0.0809  1
  In  In1  1  0.5000  0.0000  0.0000  1
  Ga  Ga2  2  0.4953  0.3080  0.4246  1
  Hg  Hg3  2  0.0032  0.3449  0.6068  1
  Hg  Hg4  2  0.0074  0.8288  0.7590  1
  Hg  Hg5  2  0.4863  0.1021  0.6769  1
  Hg  Hg6  2  0.4939  0.4441  0.1549  1
]