data_[Tl2Ni2F6]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.8905]
_cell_length_b [5.8670]
_cell_length_c [5.7360]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3516]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlNiF3]
_chemical_formula_sum '[Tl2 Ni2 F6]'
_cell_volume [164.1073]
_cell_formula_units_Z [2]
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  2  0.3284  0.7500  0.5924  1.0
  Ni  Ni1  2  0.0481  0.2500  0.9455  1.0
  F  F2  4  0.2218  0.0005  0.1416  1.0
  F  F3  2  0.2197  0.2500  0.6500  1.0
]