data_[Sc20Tl8O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.9694]
_cell_length_b [6.2813]
_cell_length_c [13.2363]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sc5Tl2O]
_chemical_formula_sum '[Sc20 Tl8 O4]'
_cell_volume [662.5835]
_cell_formula_units_Z [4]
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  8  0.1541  0.5036  0.3780  1
  Sc  Sc1  4  0.0000  0.0000  0.0000  1
  Sc  Sc2  4  0.0303  0.2500  0.7956  1
  Sc  Sc3  4  0.2017  0.7500  0.6007  1
  Tl  Tl4  4  0.0351  0.7500  0.7991  1
  Tl  Tl5  4  0.1769  0.2500  0.5802  1
  O  O6  4  0.1785  0.2500  0.9459  1
]