data_[Rb2Sc2Tl4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sc  1.3600  1.6000  0.8850
  Tl  1.6200  1.9000  1.3325
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3247]
_cell_length_b [6.8939]
_cell_length_c [11.2168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.7843]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [RbScTl2F6]
_chemical_formula_sum '[Rb2 Sc2 Tl4 F12]'
_cell_volume [406.4872]
_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  2  0.5000  0.0000  0.0000  1.0
  Sc  Sc1  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  4  0.2727  0.5387  0.7638  1.0
  F  F3  4  0.1177  0.5654  0.2071  1.0
  F  F4  4  0.2291  0.2409  0.5710  1.0
  F  F5  4  0.2988  0.6545  0.0233  1.0
]