data_[Li4La8Y4S20]
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
  Y  1.2200  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0523]
_cell_length_b [16.6471]
_cell_length_c [12.0501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiLa2YS5]
_chemical_formula_sum '[Li4 La8 Y4 S20]'
_cell_volume [812.8844]
_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  0.4846  0.4804  1.0
  La  La1  4  0.0000  0.1087  0.6847  1.0
  La  La2  4  0.0000  0.1245  0.2990  1.0
  Y  Y3  4  0.0000  0.1974  0.0030  1.0
  S  S4  4  0.0000  0.0459  0.0680  1.0
  S  S5  4  0.0000  0.2880  0.6599  1.0
  S  S6  4  0.0000  0.3074  0.3472  1.0
  S  S7  4  0.0000  0.3625  0.9994  1.0
  S  S8  4  0.0000  0.5000  0.2824  1.0
]