data_[Li24Sm96Rh40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sm  1.1700  1.8500  1.2290
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [17.3195]
_cell_length_b [17.3195]
_cell_length_c [17.3195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Li3Sm12Rh5]
_chemical_formula_sum '[Li24 Sm96 Rh40]'
_cell_volume [5195.2650]
_cell_formula_units_Z [8]
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  24  0.0000  0.2500  0.1250  1
  Sm  Sm1  96  0.0308  0.0601  0.6458  1
  Rh  Rh2  24  0.0000  0.2500  0.3750  1
  Rh  Rh3  16  0.0000  0.0000  0.0000  1
]