data_[Na4Li4Zr2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Zr  1.3300  1.5500  0.8600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3989]
_cell_length_b [3.8188]
_cell_length_c [7.3292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1158]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Li2ZrS4]
_chemical_formula_sum '[Na4 Li4 Zr2 S8]'
_cell_volume [358.7080]
_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
[
  Na  Na0  4  0.1507  0.0000  0.5391  1
  Li  Li1  4  0.1781  0.5000  0.9740  1
  Zr  Zr2  2  0.0000  0.0000  0.0000  1
  S  S3  4  0.0021  0.5000  0.2454  1
  S  S4  4  0.2039  0.0000  0.1863  1
]