data_[Sc4Ag4S8]
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 [C2/m]
_cell_length_a [14.2294]
_cell_length_b [3.7746]
_cell_length_c [6.5782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2836]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ScAgS2]
_chemical_formula_sum '[Sc4 Ag4 S8]'
_cell_volume [345.2210]
_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  4  0.2466  0.0000  0.2516  1.0
  Ag  Ag1  4  0.0272  0.5000  0.7343  1.0
  S  S2  4  0.1478  0.5000  0.3736  1.0
  S  S3  4  0.1490  0.0000  0.8712  1.0
]