data_[Y4Ag6Sn2S12]
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
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9872]
_cell_length_b [3.9396]
_cell_length_c [7.5275]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6876]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2Ag3SnS6]
_chemical_formula_sum '[Y4 Ag6 Sn2 S12]'
_cell_volume [524.1665]
_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  4  0.1664  0.0000  0.3353  1.0
  Ag  Ag1  4  0.1886  0.0000  0.8429  1.0
  Ag  Ag2  2  0.0000  0.5000  0.5000  1.0
  Sn  Sn3  2  0.0000  0.5000  0.0000  1.0
  S  S4  4  0.0081  0.0000  0.2627  1.0
  S  S5  4  0.1564  0.5000  0.0756  1.0
  S  S6  4  0.1763  0.5000  0.5909  1.0
]