data_[Sc1Tl1Pb2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Tl  1.6200  1.9000  1.3325
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.6887]
_cell_length_b [5.7405]
_cell_length_c [8.1054]
_cell_angle_alpha [91.9222]
_cell_angle_beta [95.5590]
_cell_angle_gamma [98.6203]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ScTlPb2F8]
_chemical_formula_sum '[Sc1 Tl1 Pb2 F8]'
_cell_volume [214.4284]
_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
[
  Sc  Sc0  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  1  0.0000  0.0000  0.5000  1.0
  Pb  Pb2  2  0.4581  0.5080  0.2467  1.0
  F  F3  2  0.0234  0.7506  0.8098  1.0
  F  F4  2  0.1140  0.7882  0.1865  1.0
  F  F5  2  0.3929  0.2084  0.9957  1.0
  F  F6  2  0.4532  0.7243  0.5124  1.0
]