data_[Er16Ni4Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ni  1.9100  1.3500  0.7400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9356]
_cell_length_b [4.9538]
_cell_length_c [6.5685]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7765]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8Ni2Ir]
_chemical_formula_sum '[Er16 Ni4 Ir2]'
_cell_volume [530.3171]
_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
[
  Er  Er0  4  0.0365  0.0000  0.7923  1.0
  Er  Er1  4  0.0912  0.5000  0.4450  1.0
  Er  Er2  4  0.1702  0.5000  0.9776  1.0
  Er  Er3  4  0.2021  0.0000  0.3262  1.0
  Ni  Ni4  4  0.1882  0.0000  0.7194  1.0
  Ir  Ir5  2  0.0000  0.5000  0.0000  1.0
]