data_[In1Si1Hg1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Si  1.9000  1.1000  0.5400
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.6253]
_cell_length_b [4.9957]
_cell_length_c [6.3232]
_cell_angle_alpha [85.9676]
_cell_angle_beta [74.9209]
_cell_angle_gamma [84.5283]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [InSiHgF6]
_chemical_formula_sum '[In1 Si1 Hg1 F6]'
_cell_volume [140.2744]
_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  1  0.9210  0.1540  0.9694  1.0
  Si  Si1  1  0.5417  0.6706  0.6745  1.0
  Hg  Hg2  1  0.3164  0.1365  0.2581  1.0
  F  F3  1  0.2639  0.5280  0.8758  1.0
  F  F4  1  0.2932  0.9708  0.6919  1.0
  F  F5  1  0.4070  0.5579  0.4781  1.0
  F  F6  1  0.6750  0.7824  0.8838  1.0
  F  F7  1  0.7776  0.3738  0.6814  1.0
  F  F8  1  0.8042  0.8261  0.4869  1.0
]