data_[Li2Y2Sc2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  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 [8.5450]
_cell_length_b [4.1700]
_cell_length_c [9.4116]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5628]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiYScTe3]
_chemical_formula_sum '[Li2 Y2 Sc2 Te6]'
_cell_volume [324.5851]
_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  0.0885  0.2500  0.5886  1.0
  Y  Y1  2  0.1903  0.2500  0.2384  1.0
  Sc  Sc2  2  0.3336  0.7500  0.8368  1.0
  Te  Te3  2  0.0954  0.2500  0.8784  1.0
  Te  Te4  2  0.2477  0.7500  0.5034  1.0
  Te  Te5  2  0.4275  0.7500  0.1625  1.0
]