data_[Tl4In2Pb2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [6.5027]
_cell_length_b [9.3078]
_cell_length_c [6.7782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Tl2InPbF6]
_chemical_formula_sum '[Tl4 In2 Pb2 F12]'
_cell_volume [410.2558]
_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  4  0.0000  0.2702  0.2158  1.0
  In  In1  2  0.0000  0.0000  0.7627  1.0
  Pb  Pb2  2  0.0000  0.5000  0.7299  1.0
  F  F3  4  0.0000  0.2380  0.7956  1.0
  F  F4  4  0.2439  0.0000  0.5380  1.0
  F  F5  4  0.2491  0.5000  0.0104  1.0
]