data_[Y4Si3Ir1]
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 [Pmm2]
_cell_length_a [3.8648]
_cell_length_b [4.2595]
_cell_length_c [10.6930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Y4Si3Ir]
_chemical_formula_sum '[Y4 Si3 Ir1]'
_cell_volume [176.0297]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.8623  1.0
  Y  Y1  1  0.0000  0.5000  0.3570  1.0
  Y  Y2  1  0.5000  0.0000  0.1416  1.0
  Y  Y3  1  0.5000  0.5000  0.6443  1.0
  Si  Si4  1  0.0000  0.0000  0.5692  1.0
  Si  Si5  1  0.0000  0.5000  0.0735  1.0
  Si  Si6  1  0.5000  0.0000  0.4247  1.0
  Ir  Ir7  1  0.5000  0.5000  0.9273  1.0
]