data_[Sc2Ag2S4]
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
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.8021]
_cell_length_b [6.5893]
_cell_length_c [6.8061]
_cell_angle_alpha [90.5628]
_cell_angle_beta [90.7649]
_cell_angle_gamma [90.1684]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [ScAgS2]
_chemical_formula_sum '[Sc2 Ag2 S4]'
_cell_volume [170.4881]
_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  1  0.2416  0.0645  0.2895  1.0
  Sc  Sc1  1  0.7219  0.5623  0.2890  1.0
  Ag  Ag2  1  0.4010  0.4454  0.8298  1.0
  Ag  Ag3  1  0.7031  0.9018  0.8455  1.0
  S  S4  1  0.2181  0.7293  0.0729  1.0
  S  S5  1  0.2306  0.3992  0.4864  1.0
  S  S6  1  0.7345  0.2273  0.0757  1.0
  S  S7  1  0.7404  0.8982  0.4856  1.0
]