data_[Tl1Co1Bi1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Co  1.8800  1.3500  0.7683
  Bi  2.0200  1.6000  1.0350
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P3]
_cell_length_a [5.9055]
_cell_length_b [5.9055]
_cell_length_c [5.5429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [143]
_chemical_formula_structural [TlCoBiF6]
_chemical_formula_sum '[Tl1 Co1 Bi1 F6]'
_cell_volume [167.4082]
_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  0.9643  1.0
  Co  Co1  1  0.3333  0.6667  0.5140  1.0
  Bi  Bi2  1  0.6667  0.3333  0.4558  1.0
  F  F3  3  0.0532  0.6927  0.3141  1.0
  F  F4  3  0.4197  0.0061  0.7079  1.0
]