data_[Tl1Cr1Pb1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cr  1.6600  1.4000  0.9400
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P3]
_cell_length_a [5.8574]
_cell_length_b [5.8574]
_cell_length_c [4.6881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [143]
_chemical_formula_structural [TlCrPbF6]
_chemical_formula_sum '[Tl1 Cr1 Pb1 F6]'
_cell_volume [139.2969]
_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
[
  Tl  Tl0  1  0.3333  0.6667  0.8119  1.0
  Cr  Cr1  1  0.0000  0.0000  0.5736  1.0
  Pb  Pb2  1  0.6667  0.3333  0.1814  1.0
  F  F3  3  0.0921  0.7830  0.3427  1.0
  F  F4  3  0.3268  0.1278  0.8021  1.0
]