data_[Li4Nd12Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1218]
_cell_length_b [10.5488]
_cell_length_c [14.0912]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Li(NdRh)3]
_chemical_formula_sum '[Li4 Nd12 Rh12]'
_cell_volume [612.6902]
_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
[
  Li  Li0  4  0.0000  0.5000  0.0000  1
  Nd  Nd1  8  0.0000  0.1973  0.6031  1
  Nd  Nd2  4  0.0000  0.4722  0.7500  1
  Rh  Rh3  8  0.0000  0.0908  0.0898  1
  Rh  Rh4  4  0.0000  0.2523  0.2500  1
]