data_[Rb6Tl3As3F18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tl  1.6200  1.9000  1.3325
  As  2.1800  1.1500  0.6600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.7935]
_cell_length_b [6.7935]
_cell_length_c [15.6459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Rb2TlAsF6]
_chemical_formula_sum '[Rb6 Tl3 As3 F18]'
_cell_volume [625.3441]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.2446  1.0
  Rb  Rb1  3  0.0000  0.0000  0.7390  1.0
  Tl  Tl2  3  0.0000  0.0000  0.4999  1.0
  As  As3  3  0.0000  0.0000  0.9971  1.0
  F  F4  9  0.0463  0.8069  0.0710  1.0
  F  F5  9  0.0769  0.3334  0.5986  1.0
]