data_[In5Ga5Hg1]
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-6m2]
_cell_length_a [5.7004]
_cell_length_b [5.7004]
_cell_length_c [9.4578]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [In5Ga5Hg]
_chemical_formula_sum '[In5 Ga5 Hg1]'
_cell_volume [266.1536]
_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  0.3333  0.6667  0.3243  1
  In  In1  2  0.6667  0.3333  0.1774  1
  In  In2  1  0.0000  0.0000  0.0000  1
  Ga  Ga3  3  0.3547  0.1773  0.5000  1
  Ga  Ga4  2  0.0000  0.0000  0.2867  1
  Hg  Hg5  1  0.3333  0.6667  0.0000  1
]