data_[Ce4Nd12Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Nd  1.1400  1.8500  1.2765
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.5487]
_cell_length_b [10.2512]
_cell_length_c [7.2289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1861]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce(NdRh)3]
_chemical_formula_sum '[Ce4 Nd12 Rh12]'
_cell_volume [707.4516]
_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  4  0.2348  0.0000  0.1397  1.0
  Nd  Nd1  4  0.0000  0.1740  0.5000  1.0
  Nd  Nd2  4  0.0000  0.2577  0.0000  1.0
  Nd  Nd3  4  0.1641  0.5000  0.3736  1.0
  Rh  Rh4  8  0.2375  0.2800  0.7115  1.0
  Rh  Rh5  4  0.0753  0.0000  0.8143  1.0
]