data_[Ce2Y2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Y  1.2200  1.8000  1.0400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.8287]
_cell_length_b [4.7166]
_cell_length_c [8.1336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0038]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeYIr]
_chemical_formula_sum '[Ce2 Y2 Ir2]'
_cell_volume [146.8807]
_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  0.2376  0.2500  0.5476  1.0
  Y  Y1  2  0.2511  0.7500  0.8676  1.0
  Ir  Ir2  2  0.2549  0.7500  0.2164  1.0
]