data_[Y8Er2Ir4]
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 [P2_1/m]
_cell_length_a [7.8738]
_cell_length_b [6.3245]
_cell_length_c [7.9094]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6789]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Y4ErIr2]
_chemical_formula_sum '[Y8 Er2 Ir4]'
_cell_volume [363.4181]
_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  0.4160  0.0027  0.7644  1
  Y  Y1  2  0.0163  0.2500  0.3798  1
  Y  Y2  2  0.2466  0.7500  0.3331  1
  Er  Er3  2  0.1574  0.2500  0.0313  1
  Ir  Ir4  2  0.2530  0.7500  0.9848  1
  Ir  Ir5  2  0.3740  0.2500  0.4095  1
]