data_[Sc4Ag4S4O4]
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 [P2_1]
_cell_length_a [5.3762]
_cell_length_b [5.3741]
_cell_length_c [10.3728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1387]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [ScAgSO]
_chemical_formula_sum '[Sc4 Ag4 S4 O4]'
_cell_volume [299.6376]
_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
[
  Sc  Sc0  2  0.0026  0.3260  0.5911  1
  Sc  Sc1  2  0.4974  0.3256  0.4081  1
  Ag  Ag2  2  0.1739  0.5906  0.9977  1
  Ag  Ag3  2  0.4990  0.8361  0.2064  1
  S  S4  2  0.1929  0.5371  0.2253  1
  S  S5  2  0.1937  0.6348  0.7702  1
  O  O6  2  0.2489  0.0753  0.5001  1
  O  O7  2  0.2543  0.5744  0.4990  1
]