data_[Rb4Hg4F12]
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 [C2/m]
_cell_length_a [12.1920]
_cell_length_b [5.0171]
_cell_length_c [7.0521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.4639]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbHgF3]
_chemical_formula_sum '[Rb4 Hg4 F12]'
_cell_volume [389.4579]
_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
[
  Rb  Rb0  4  0.1245  0.5000  0.4117  1.0
  Hg  Hg1  4  0.1371  0.0000  0.9224  1.0
  F  F2  4  0.1128  0.0000  0.2019  1.0
  F  F3  4  0.1306  0.5000  0.8750  1.0
  F  F4  4  0.1531  0.0000  0.6366  1.0
]