data_[In6Ga2Hg4F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8952]
_cell_length_b [5.9459]
_cell_length_c [5.5652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3624]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In3GaHg2F6]
_chemical_formula_sum '[In6 Ga2 Hg4 F12]'
_cell_volume [450.7796]
_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  0.2500  0.2500  0.5000  1.0
  In  In1  2  0.0000  0.5000  0.0000  1.0
  Ga  Ga2  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg3  4  0.2180  0.5000  0.9720  1.0
  F  F4  8  0.0767  0.2328  0.3722  1.0
  F  F5  4  0.0907  0.0000  0.7939  1.0
]