data_[Cr1Hg1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2281]
_cell_length_b [5.3336]
_cell_length_c [5.6931]
_cell_angle_alpha [91.6813]
_cell_angle_beta [116.1393]
_cell_angle_gamma [118.6138]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CrHgF6]
_chemical_formula_sum '[Cr1 Hg1 F6]'
_cell_volume [119.1499]
_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
[
  Cr  Cr0  1  0.0000  0.5000  0.5000  1.0
  Hg  Hg1  1  0.0000  0.0000  0.0000  1.0
  F  F2  2  0.1381  0.7051  0.2807  1.0
  F  F3  2  0.1500  0.8698  0.7292  1.0
  F  F4  2  0.4264  0.5682  0.7165  1.0
]