data_[Y4Ag4Se6S2]
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
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.4004]
_cell_length_b [9.6558]
_cell_length_c [4.2643]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7865]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Y2Ag2Se3S]
_chemical_formula_sum '[Y4 Ag4 Se6 S2]'
_cell_volume [387.0219]
_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
[
  Y  Y0  2  0.0096  0.5000  0.2125  1
  Y  Y1  2  0.4940  0.5000  0.7951  1
  Ag  Ag2  4  0.2481  0.2503  0.9861  1
  Se  Se3  4  0.0002  0.2032  0.2858  1
  Se  Se4  2  0.2987  0.0000  0.7158  1
  S  S5  2  0.2011  0.5000  0.7326  1
]