data_[Y6Er4Ir4]
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 [C2/m]
_cell_length_a [12.0820]
_cell_length_b [3.8300]
_cell_length_c [8.7993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6057]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3(ErIr)2]
_chemical_formula_sum '[Y6 Er4 Ir4]'
_cell_volume [367.1901]
_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  4  0.1184  0.5000  0.4310  1.0
  Y  Y1  2  0.0000  0.5000  0.0000  1.0
  Er  Er2  4  0.1688  0.0000  0.8100  1.0
  Ir  Ir3  4  0.1794  0.0000  0.2331  1.0
]