data_[Y4Si2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Si  1.9000  1.1000  0.5400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.6261]
_cell_length_b [4.1591]
_cell_length_c [8.0291]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7670]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Y2SiIr]
_chemical_formula_sum '[Y4 Si2 Ir2]'
_cell_volume [177.8921]
_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  2  0.2261  0.7500  0.4370  1
  Y  Y1  2  0.3015  0.2500  0.0848  1
  Si  Si2  2  0.1418  0.7500  0.7885  1
  Ir  Ir3  2  0.3405  0.2500  0.7209  1
]