data_[Y16Ag4Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ag  1.9300  1.6000  1.0867
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.6100]
_cell_length_b [5.2178]
_cell_length_c [6.8483]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4450]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y8Ag2Ir]
_chemical_formula_sum '[Y16 Ag4 Ir2]'
_cell_volume [600.3173]
_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
[
  Y  Y0  4  0.0280  0.0000  0.7926  1
  Y  Y1  4  0.0896  0.5000  0.4327  1
  Y  Y2  4  0.1601  0.5000  0.9719  1
  Y  Y3  4  0.2009  0.0000  0.3132  1
  Ag  Ag4  4  0.1833  0.0000  0.7194  1
  Ir  Ir5  2  0.0000  0.5000  0.0000  1
]