data_[Tl4In4Pb2F12]
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 [C2/m]
_cell_length_a [11.2741]
_cell_length_b [6.4237]
_cell_length_c [7.5147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4192]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2In2PbF6]
_chemical_formula_sum '[Tl4 In4 Pb2 F12]'
_cell_volume [495.5361]
_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  0.1755  0.5000  0.0790  1.0
  In  In1  4  0.1329  0.0000  0.4103  1.0
  Pb  Pb2  2  0.0000  0.5000  0.5000  1.0
  F  F3  8  0.0159  0.2694  0.2328  1.0
  F  F4  4  0.2340  0.5000  0.7443  1.0
]