data_[In4Hg4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  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 [14.2479]
_cell_length_b [4.1793]
_cell_length_c [6.8011]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9657]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [InHgF4]
_chemical_formula_sum '[In4 Hg4 F16]'
_cell_volume [396.1847]
_cell_formula_units_Z [4]
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  0.0458  0.0000  0.2711  1.0
  Hg  Hg1  4  0.2498  0.0000  0.8537  1.0
  F  F2  4  0.0520  0.5000  0.2666  1.0
  F  F3  4  0.0811  0.0000  0.9685  1.0
  F  F4  4  0.0855  0.0000  0.5950  1.0
  F  F5  4  0.2015  0.0000  0.3153  1.0
]