data_[La4Nd12Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [10.0014]
_cell_length_b [10.1669]
_cell_length_c [6.7700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7311]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaNd3Rh]
_chemical_formula_sum '[La4 Nd12 Rh4]'
_cell_volume [639.4666]
_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
[
  La  La0  4  0.0691  0.0000  0.7734  1
  Nd  Nd1  8  0.1823  0.2506  0.2293  1
  Nd  Nd2  4  0.0668  0.5000  0.7705  1
  Rh  Rh3  4  0.2465  0.0000  0.4952  1
]