data_[Rb1Hg1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [5.5951]
_cell_length_b [5.7709]
_cell_length_c [5.8514]
_cell_angle_alpha [66.3547]
_cell_angle_beta [65.2023]
_cell_angle_gamma [63.5809]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbHgF6]
_chemical_formula_sum '[Rb1 Hg1 F6]'
_cell_volume [148.1606]
_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
[
  Rb  Rb0  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg1  1  0.5000  0.5000  0.5000  1.0
  F  F2  2  0.0832  0.6644  0.6469  1.0
  F  F3  2  0.4399  0.3175  0.3105  1.0
  F  F4  2  0.4992  0.1606  0.8355  1.0
]