data_[Cs2Li2Sc2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.1299]
_cell_length_b [4.2510]
_cell_length_c [11.0456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2612]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsLiScTe3]
_chemical_formula_sum '[Cs2 Li2 Sc2 Te6]'
_cell_volume [426.5498]
_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
[
  Cs  Cs0  2  0.2214  0.2500  0.2594  1.0
  Li  Li1  2  0.0785  0.2500  0.6061  1.0
  Sc  Sc2  2  0.3283  0.7500  0.8529  1.0
  Te  Te3  2  0.1417  0.2500  0.8739  1.0
  Te  Te4  2  0.2288  0.7500  0.5627  1.0
  Te  Te5  2  0.4695  0.7500  0.1503  1.0
]