data_[Y4Cu2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.7749]
_cell_length_b [3.3038]
_cell_length_c [4.8553]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5895]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Y2CuIr]
_chemical_formula_sum '[Y4 Cu2 Ir2]'
_cell_volume [166.4813]
_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  0.0232  0.0000  0.0621  1
  Y  Y1  2  0.2332  0.0000  0.6988  1
  Cu  Cu2  2  0.4676  0.0000  0.5175  1
  Ir  Ir3  2  0.2761  0.5000  0.2216  1
]