data_[Ce12Ni4Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ni  1.9100  1.3500  0.7400
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9456]
_cell_length_b [4.4046]
_cell_length_c [7.1541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5891]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3NiRh]
_chemical_formula_sum '[Ce12 Ni4 Rh4]'
_cell_volume [433.2935]
_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  0.0368  0.0000  0.7737  1.0
  Ce  Ce1  4  0.0835  0.5000  0.4022  1.0
  Ce  Ce2  4  0.2374  0.0000  0.1866  1.0
  Ni  Ni3  4  0.2002  0.0000  0.5453  1.0
  Rh  Rh4  4  0.1075  0.5000  0.0136  1.0
]