data_[Rb6Th2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Th  1.3000  1.8000  1.0800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [12.2629]
_cell_length_b [7.0348]
_cell_length_c [6.7819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.1422]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Rb3ThF6]
_chemical_formula_sum '[Rb6 Th2 F12]'
_cell_volume [495.3780]
_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
[
  Rb  Rb0  4  0.2494  0.9613  0.7655  1
  Rb  Rb1  2  0.0000  0.5037  0.5000  1
  Th  Th2  2  0.0000  0.9954  0.0000  1
  F  F3  4  0.0612  0.2280  0.8459  1
  F  F4  4  0.1016  0.7551  0.9341  1
  F  F5  4  0.2053  0.0576  0.3092  1
]