data_[Y8Ni4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ni  1.9100  1.3500  0.7400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5441]
_cell_length_b [5.4044]
_cell_length_c [7.8949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9308]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y2NiIr2]
_chemical_formula_sum '[Y8 Ni4 Ir8]'
_cell_volume [393.4756]
_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
[
  Y  Y0  8  0.1487  0.3614  0.1517  1.0
  Ni  Ni1  4  0.0000  0.1483  0.7500  1.0
  Ir  Ir2  8  0.1309  0.1323  0.5038  1.0
]