data_[In9Hg9F9]
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 [R3]
_cell_length_a [7.4375]
_cell_length_b [7.4375]
_cell_length_c [15.8082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [InHgF]
_chemical_formula_sum '[In9 Hg9 F9]'
_cell_volume [757.3025]
_cell_formula_units_Z [9]
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  9  0.0185  0.4028  0.4977  1
  Hg  Hg1  3  0.0000  0.0000  0.3874  1
  Hg  Hg2  3  0.0000  0.0000  0.6594  1
  Hg  Hg3  3  0.0000  0.0000  0.9983  1
  F  F4  9  0.0530  0.7934  0.2036  1
]