data_[Sc16Ag4Ir2]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.6187]
_cell_length_b [13.7019]
_cell_length_c [5.1780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2847]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sc8Ag2Ir]
_chemical_formula_sum '[Sc16 Ag4 Ir2]'
_cell_volume [488.7579]
_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  4  0.0001  0.8044  0.9936  1
  Sc  Sc1  4  0.2242  0.1105  0.6214  1
  Sc  Sc2  4  0.2800  0.3889  0.3530  1
  Sc  Sc3  2  0.1365  0.5000  0.7827  1
  Sc  Sc4  2  0.3692  0.0000  0.1959  1
  Ag  Ag5  4  0.0081  0.2950  0.5032  1
  Ir  Ir6  2  0.0033  0.0000  0.0789  1
]