data_[Sc2Ag2S4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.6443]
_cell_length_b [5.3775]
_cell_length_c [7.8134]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.7245]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ScAg(SO4)2]
_chemical_formula_sum '[Sc2 Ag2 S4 O16]'
_cell_volume [360.7063]
_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
[
  Sc  Sc0  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag1  2  0.0000  0.0000  0.5000  1.0
  S  S2  4  0.1708  0.5000  0.2160  1.0
  O  O3  8  0.0693  0.2750  0.1877  1.0
  O  O4  4  0.2173  0.0000  0.9150  1.0
  O  O5  4  0.2489  0.5000  0.3924  1.0
]