data_[Y6In2Ag8S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  In  1.7800  1.5500  0.9400
  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 [14.1002]
_cell_length_b [8.1101]
_cell_length_c [8.9764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.9456]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3In(AgS2)4]
_chemical_formula_sum '[Y6 In2 Ag8 S16]'
_cell_volume [861.4218]
_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  0.2500  0.2500  0.5000  1.0
  Y  Y1  2  0.0000  0.0000  0.5000  1.0
  In  In2  2  0.0000  0.5000  0.5000  1.0
  Ag  Ag3  4  0.2500  0.2500  0.0000  1.0
  Ag  Ag4  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag5  2  0.0000  0.5000  0.0000  1.0
  S  S6  8  0.1460  0.2569  0.6864  1.0
  S  S7  4  0.0976  0.5000  0.3132  1.0
  S  S8  4  0.1013  0.0000  0.3128  1.0
]