data_[Ce12Ir6Rh2]
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 [11.7480]
_cell_length_b [3.9860]
_cell_length_c [11.7870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0626]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ce6Ir3Rh]
_chemical_formula_sum '[Ce12 Ir6 Rh2]'
_cell_volume [511.5344]
_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  0.0681  0.2500  0.8952  1.0
  Ce  Ce1  2  0.0943  0.7500  0.4323  1.0
  Ce  Ce2  2  0.2733  0.2500  0.7288  1.0
  Ce  Ce3  2  0.2745  0.2500  0.2469  1.0
  Ce  Ce4  2  0.3813  0.7500  0.0319  1.0
  Ce  Ce5  2  0.4537  0.7500  0.5819  1.0
  Ir  Ir6  2  0.1617  0.7500  0.0790  1.0
  Ir  Ir7  2  0.2799  0.2500  0.4897  1.0
  Ir  Ir8  2  0.4641  0.7500  0.8263  1.0
  Rh  Rh9  2  0.0833  0.7500  0.6895  1.0
]