data_[Li4La8Zr4S20]
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
  Zr  1.3300  1.5500  0.8600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9559]
_cell_length_b [16.5405]
_cell_length_c [11.8023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiLa2ZrS5]
_chemical_formula_sum '[Li4 La8 Zr4 S20]'
_cell_volume [772.2584]
_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  0.4545  0.4567  1.0
  La  La1  4  0.0000  0.1107  0.6915  1.0
  La  La2  4  0.0000  0.1309  0.3054  1.0
  Zr  Zr3  4  0.0000  0.1965  0.0124  1.0
  S  S4  4  0.0000  0.0511  0.0577  1.0
  S  S5  4  0.0000  0.2868  0.6632  1.0
  S  S6  4  0.0000  0.3114  0.3608  1.0
  S  S7  4  0.0000  0.3563  0.0027  1.0
  S  S8  4  0.0000  0.4952  0.7736  1.0
]