data_[Li2Zr4Ag6S12]
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 [15.8677]
_cell_length_b [3.7318]
_cell_length_c [8.5581]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3263]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiZr2(AgS2)3]
_chemical_formula_sum '[Li2 Zr4 Ag6 S12]'
_cell_volume [491.0073]
_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  0.0000  0.5000  0.0000  1
  Zr  Zr1  4  0.1527  0.0000  0.3278  1
  Ag  Ag2  4  0.1613  0.0000  0.8690  1
  Ag  Ag3  2  0.0000  0.5000  0.5000  1
  S  S4  4  0.0025  0.0000  0.7797  1
  S  S5  4  0.1670  0.5000  0.5434  1
  S  S6  4  0.1831  0.5000  0.1365  1
]