data_[Ce12Ir2Rh6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ir  2.2000  1.3500  0.7650
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.6970]
_cell_length_b [3.9119]
_cell_length_c [11.7059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2344]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ce6IrRh3]
_chemical_formula_sum '[Ce12 Ir2 Rh6]'
_cell_volume [495.7996]
_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  0.0697  0.2500  0.8882  1.0
  Ce  Ce1  2  0.0953  0.7500  0.4348  1.0
  Ce  Ce2  2  0.2765  0.2500  0.2488  1.0
  Ce  Ce3  2  0.2776  0.2500  0.7311  1.0
  Ce  Ce4  2  0.3742  0.7500  0.0259  1.0
  Ce  Ce5  2  0.4666  0.7500  0.5775  1.0
  Ir  Ir6  2  0.0872  0.7500  0.6927  1.0
  Rh  Rh7  2  0.1575  0.7500  0.0802  1.0
  Rh  Rh8  2  0.2818  0.2500  0.4928  1.0
  Rh  Rh9  2  0.4752  0.7500  0.8282  1.0
]