data_[Li2Nb4Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nb  1.6000  1.4500  0.8200
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.5644]
_cell_length_b [7.2152]
_cell_length_c [8.5176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li(NbRh3)2]
_chemical_formula_sum '[Li2 Nb4 Rh12]'
_cell_volume [280.5143]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1
  Nb  Nb1  4  0.0000  0.0000  0.3229  1
  Rh  Rh2  8  0.0000  0.3012  0.1627  1
  Rh  Rh3  4  0.0000  0.3027  0.5000  1
]