data_[Ce4Co2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Co  1.8800  1.3500  0.7683
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.9257]
_cell_length_b [3.9113]
_cell_length_c [7.5526]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6089]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ce2CoIr]
_chemical_formula_sum '[Ce4 Co2 Ir2]'
_cell_volume [165.8983]
_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  0.2262  0.2500  0.9233  1.0
  Ce  Ce1  2  0.2292  0.2500  0.4413  1.0
  Co  Co2  2  0.3061  0.7500  0.7008  1.0
  Ir  Ir3  2  0.3202  0.7500  0.2052  1.0
]