data_[Rb1Tl1Cr1F6]
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
  Cr  1.6600  1.4000  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.9542]
_cell_length_b [5.9542]
_cell_length_c [4.9178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [RbTlCrF6]
_chemical_formula_sum '[Rb1 Tl1 Cr1 F6]'
_cell_volume [150.9929]
_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  0.3333  0.6667  0.8585  1.0
  Tl  Tl1  1  0.0000  0.0000  0.2765  1.0
  Cr  Cr2  1  0.6667  0.3333  0.5529  1.0
  F  F3  3  0.3681  0.1840  0.7654  1.0
  F  F4  3  0.5173  0.0346  0.3386  1.0
]