data_[Tl1Ni1Sb1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ni  1.9100  1.3500  0.7400
  Sb  2.0500  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P3]
_cell_length_a [5.7456]
_cell_length_b [5.7456]
_cell_length_c [5.6623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [143]
_chemical_formula_structural [TlNiSbF6]
_chemical_formula_sum '[Tl1 Ni1 Sb1 F6]'
_cell_volume [161.8831]
_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  0.0000  0.0000  0.9772  1.0
  Ni  Ni1  1  0.6667  0.3333  0.5077  1.0
  Sb  Sb2  1  0.3333  0.6667  0.4584  1.0
  F  F3  3  0.0178  0.5819  0.6968  1.0
  F  F4  3  0.3562  0.0613  0.3203  1.0
]