data_[Y8Ag4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.5951]
_cell_length_b [3.7986]
_cell_length_c [15.5828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Y2AgS3]
_chemical_formula_sum '[Y8 Ag4 S12]'
_cell_volume [508.7677]
_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
[
  Y  Y0  4  0.1287  0.7500  0.7880  1
  Y  Y1  4  0.1668  0.7500  0.0568  1
  Ag  Ag2  4  0.0545  0.7500  0.4332  1
  S  S3  4  0.1162  0.7500  0.2347  1
  S  S4  4  0.1289  0.7500  0.6128  1
  S  S5  4  0.1511  0.2500  0.9241  1
]