data_[Li6Zr4Ag2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zr  1.3300  1.5500  0.8600
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3997]
_cell_length_b [3.7088]
_cell_length_c [7.5894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0730]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Zr2AgS6]
_chemical_formula_sum '[Li6 Zr4 Ag2 S12]'
_cell_volume [447.7632]
_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  4  0.1599  0.0000  0.8303  1.0
  Li  Li1  2  0.0000  0.5000  0.5000  1.0
  Zr  Zr2  4  0.1527  0.0000  0.3185  1.0
  Ag  Ag3  2  0.0000  0.5000  0.0000  1.0
  S  S4  4  0.0010  0.0000  0.2637  1.0
  S  S5  4  0.1712  0.5000  0.5682  1.0
  S  S6  4  0.1785  0.5000  0.1017  1.0
]