data_[Y4Ag4S8]
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 [Cc]
_cell_length_a [7.6811]
_cell_length_b [7.6950]
_cell_length_c [7.1695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3041]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [YAgS2]
_chemical_formula_sum '[Y4 Ag4 S8]'
_cell_volume [358.1719]
_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  0.2300  0.1248  0.2318  1.0
  Ag  Ag1  4  0.3122  0.3389  0.8320  1.0
  S  S2  4  0.4661  0.1142  0.6816  1.0
  S  S3  4  0.4990  0.3780  0.2719  1.0
]