data_[Li4Sc12Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sc  1.3600  1.6000  0.8850
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.9133]
_cell_length_b [8.9897]
_cell_length_c [6.2357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Li(ScRh)3]
_chemical_formula_sum '[Li4 Sc12 Rh12]'
_cell_volume [499.6495]
_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  0.2468  0.0000  0.5000  1
  Sc  Sc1  4  0.0000  0.2423  0.0000  1
  Sc  Sc2  4  0.0000  0.2554  0.5000  1
  Sc  Sc3  4  0.2443  0.5000  0.0000  1
  Rh  Rh4  8  0.2500  0.2500  0.2521  1
  Rh  Rh5  4  0.0000  0.0000  0.2545  1
]