data_[Y8Er6Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.7784]
_cell_length_b [8.6666]
_cell_length_c [16.0085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Y4Er3Ir4]
_chemical_formula_sum '[Y8 Er6 Ir8]'
_cell_volume [524.2213]
_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  8  0.0000  0.1890  0.3336  1
  Er  Er1  4  0.0000  0.0000  0.0996  1
  Er  Er2  2  0.0000  0.5000  0.0000  1
  Ir  Ir3  4  0.0000  0.2870  0.5000  1
  Ir  Ir4  4  0.0000  0.5000  0.2539  1
]