data_[Rb1Tl1P1F6]
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
  P  2.1900  1.0000  0.5500
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.8326]
_cell_length_b [5.9090]
_cell_length_c [6.6112]
_cell_angle_alpha [116.2313]
_cell_angle_beta [94.0024]
_cell_angle_gamma [89.9909]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbTlPF6]
_chemical_formula_sum '[Rb1 Tl1 P1 F6]'
_cell_volume [168.8331]
_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  0.8543  0.0039  0.9647  1
  Tl  Tl1  1  0.2716  0.3680  0.6331  1
  P  P2  1  0.5569  0.6532  0.3084  1
  F  F3  1  0.3345  0.8021  0.7616  1
  F  F4  1  0.3526  0.3866  0.1479  1
  F  F5  1  0.3543  0.8233  0.2161  1
  F  F6  1  0.7499  0.5781  0.0958  1
  F  F7  1  0.7620  0.9116  0.4670  1
  F  F8  1  0.7638  0.4735  0.4056  1
]