data_[Li4La8Sc4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4257]
_cell_length_b [18.7592]
_cell_length_c [13.0841]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiLa2ScTe5]
_chemical_formula_sum '[Li4 La8 Sc4 Te20]'
_cell_volume [1086.2727]
_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
[
  Li  Li0  4  0.0000  0.4353  0.4590  1.0
  La  La1  4  0.0000  0.1077  0.6869  1.0
  La  La2  4  0.0000  0.1272  0.3045  1.0
  Sc  Sc3  4  0.0000  0.1955  0.0123  1.0
  Te  Te4  4  0.0000  0.0500  0.0652  1.0
  Te  Te5  4  0.0000  0.2843  0.6616  1.0
  Te  Te6  4  0.0000  0.3065  0.3539  1.0
  Te  Te7  4  0.0000  0.3547  0.0002  1.0
  Te  Te8  4  0.0000  0.4979  0.7804  1.0
]