data_[Li2Sc2Tl2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sc  1.3600  1.6000  0.8850
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.1922]
_cell_length_b [4.1319]
_cell_length_c [10.1546]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5463]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiScTlTe3]
_chemical_formula_sum '[Li2 Sc2 Tl2 Te6]'
_cell_volume [365.6578]
_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
[
  Li  Li0  2  0.0729  0.2500  0.6034  1.0
  Sc  Sc1  2  0.3257  0.7500  0.8449  1.0
  Tl  Tl2  2  0.2012  0.2500  0.2558  1.0
  Te  Te3  2  0.1203  0.2500  0.8838  1.0
  Te  Te4  2  0.2416  0.7500  0.5440  1.0
  Te  Te5  2  0.4461  0.7500  0.1503  1.0
]