data_[Ce4Y4Ir4]
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 [Cm]
_cell_length_a [12.0838]
_cell_length_b [3.8310]
_cell_length_c [8.1297]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8158]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CeYIr]
_chemical_formula_sum '[Ce4 Y4 Ir4]'
_cell_volume [312.6829]
_cell_formula_units_Z [4]
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  0.1563  0.5000  0.4231  1.0
  Ce  Ce1  2  0.2456  0.0000  0.1143  1.0
  Y  Y2  2  0.4138  0.0000  0.8788  1.0
  Y  Y3  2  0.4952  0.5000  0.5825  1.0
  Ir  Ir4  2  0.1983  0.5000  0.8139  1.0
  Ir  Ir5  2  0.4675  0.5000  0.2008  1.0
]