data_[Li16Rh6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5674]
_cell_length_b [2.6473]
_cell_length_c [11.4661]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.1108]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8Rh3]
_chemical_formula_sum '[Li16 Rh6]'
_cell_volume [319.5293]
_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  4  0.0796  0.0000  0.2709  1
  Li  Li1  4  0.1238  0.5000  0.9077  1
  Li  Li2  4  0.1590  0.0000  0.5341  1
  Li  Li3  4  0.2260  0.5000  0.1822  1
  Rh  Rh4  4  0.0518  0.5000  0.6400  1
  Rh  Rh5  2  0.0000  0.0000  0.0000  1
]