data_[In7Ga1Hg4]
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-3m1]
_cell_length_a [3.8866]
_cell_length_b [3.8866]
_cell_length_c [25.0976]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [In7GaHg4]
_chemical_formula_sum '[In7 Ga1 Hg4]'
_cell_volume [328.3279]
_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  0.0000  0.0000  0.2576  1.0
  In  In1  2  0.3333  0.6667  0.5761  1.0
  In  In2  2  0.3333  0.6667  0.8332  1.0
  In  In3  1  0.0000  0.0000  0.0000  1.0
  Ga  Ga4  1  0.0000  0.0000  0.5000  1.0
  Hg  Hg5  2  0.3333  0.6667  0.0839  1.0
  Hg  Hg6  2  0.3333  0.6667  0.3403  1.0
]