data_[Sc2Tl2Cr2F12]
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
  Cr  1.6600  1.4000  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.8324]
_cell_length_b [9.6838]
_cell_length_c [5.9489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2429]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [ScTlCrF6]
_chemical_formula_sum '[Sc2 Tl2 Cr2 F12]'
_cell_volume [335.9113]
_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  0.6717  0.5000  1.0
  Tl  Tl1  2  0.0000  0.0020  0.0000  1.0
  Cr  Cr2  2  0.0000  0.3366  0.5000  1.0
  F  F3  4  0.1212  0.5012  0.6835  1.0
  F  F4  4  0.1584  0.8031  0.7102  1.0
  F  F5  4  0.1954  0.1909  0.6695  1.0
]