data_[In36Ga21Hg3]
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 [R-3]
_cell_length_a [13.0786]
_cell_length_b [13.0786]
_cell_length_c [10.1202]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [In12Ga7Hg]
_chemical_formula_sum '[In36 Ga21 Hg3]'
_cell_volume [1499.1462]
_cell_formula_units_Z [3]
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  18  0.0298  0.7718  0.5552  1.0
  In  In1  18  0.0427  0.8689  0.2510  1.0
  Ga  Ga2  18  0.0727  0.5741  0.6079  1.0
  Ga  Ga3  3  0.0000  0.0000  0.5000  1.0
  Hg  Hg4  3  0.0000  0.0000  0.0000  1.0
]