data_[Sc2Tl4Pb2F12]
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 [Pmmn]
_cell_length_a [6.0222]
_cell_length_b [8.9609]
_cell_length_c [7.3085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [ScTl2PbF6]
_chemical_formula_sum '[Sc2 Tl4 Pb2 F12]'
_cell_volume [394.4025]
_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
[
  Sc  Sc0  2  0.0000  0.0000  0.2315  1
  Tl  Tl1  4  0.0000  0.2325  0.7907  1
  Pb  Pb2  2  0.0000  0.5000  0.2851  1
  F  F3  4  0.0000  0.2291  0.2172  1
  F  F4  4  0.2351  0.0000  0.0269  1
  F  F5  4  0.2487  0.0000  0.4166  1
]