data_[Ce2Er4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [5.5568]
_cell_length_b [4.3248]
_cell_length_c [10.2893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0094]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ce(ErIr)2]
_chemical_formula_sum '[Ce2 Er4 Ir4]'
_cell_volume [245.9147]
_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
[
  Ce  Ce0  2  0.3991  0.7500  0.2064  1.0
  Er  Er1  2  0.1126  0.7500  0.8812  1.0
  Er  Er2  2  0.2469  0.7500  0.5314  1.0
  Ir  Ir3  2  0.2409  0.2500  0.3569  1.0
  Ir  Ir4  2  0.3391  0.2500  0.0295  1.0
]