data_[Li2Hf4Ag4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Hf  1.3000  1.5500  0.8500
  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 [6.5131]
_cell_length_b [10.9750]
_cell_length_c [6.4919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2943]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiHf2(AgS3)2]
_chemical_formula_sum '[Li2 Hf4 Ag4 S12]'
_cell_volume [457.9536]
_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  0.5000  1.0
  Hf  Hf1  4  0.0000  0.1756  0.5000  1.0
  Ag  Ag2  4  0.0000  0.1613  0.0000  1.0
  S  S3  8  0.1416  0.3302  0.2741  1.0
  S  S4  4  0.1353  0.0000  0.2868  1.0
]