data_[Li2La4Sb2S12]
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
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6145]
_cell_length_b [7.2668]
_cell_length_c [11.4244]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2713]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiLa2SbS6]
_chemical_formula_sum '[Li2 La4 Sb2 S12]'
_cell_volume [453.7897]
_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  0.5000  0.0000  0.0000  1.0
  La  La1  4  0.2865  0.6010  0.7505  1.0
  Sb  Sb2  2  0.0000  0.0000  0.5000  1.0
  S  S3  4  0.1317  0.5282  0.2515  1.0
  S  S4  4  0.2313  0.1940  0.0538  1.0
  S  S5  4  0.3703  0.6792  0.0545  1.0
]