data_[In2Hg4F2]
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 [P2_1/m]
_cell_length_a [3.7434]
_cell_length_b [3.7232]
_cell_length_c [16.6934]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.9748]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [InHg2F]
_chemical_formula_sum '[In2 Hg4 F2]'
_cell_volume [231.7880]
_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  2  0.1375  0.7500  0.4041  1.0
  Hg  Hg1  2  0.0614  0.2500  0.0849  1.0
  Hg  Hg2  2  0.3865  0.2500  0.7825  1.0
  F  F3  2  0.2294  0.7500  0.5471  1.0
]