data_[In4Ga2Hg12]
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 [C2/m]
_cell_length_a [14.3036]
_cell_length_b [3.5345]
_cell_length_c [11.8973]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3684]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In2GaHg6]
_chemical_formula_sum '[In4 Ga2 Hg12]'
_cell_volume [496.4795]
_cell_formula_units_Z [2]
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  4  0.1386  0.5000  0.3019  1.0
  Ga  Ga1  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  4  0.0889  0.0000  0.8353  1.0
  Hg  Hg3  4  0.1047  0.0000  0.5053  1.0
  Hg  Hg4  4  0.2468  0.0000  0.1785  1.0
]