data_[Sc13Ag2]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0640]
_cell_length_b [8.0377]
_cell_length_c [8.0543]
_cell_angle_alpha [66.9541]
_cell_angle_beta [81.2357]
_cell_angle_gamma [80.6276]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sc13Ag2]
_chemical_formula_sum '[Sc13 Ag2]'
_cell_volume [354.7206]
_cell_formula_units_Z [1]
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  0.1147  0.7378  0.4773  1.0
  Sc  Sc1  2  0.2158  0.1579  0.2264  1.0
  Sc  Sc2  2  0.2501  0.5868  0.9426  1.0
  Sc  Sc3  2  0.2975  0.9779  0.6479  1.0
  Sc  Sc4  2  0.3841  0.3894  0.4100  1.0
  Sc  Sc5  2  0.4974  0.7981  0.1486  1.0
  Sc  Sc6  1  0.0000  0.0000  0.0000  1.0
  Ag  Ag7  2  0.0648  0.3840  0.7668  1.0
]