data_[Li12Tl6Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6792]
_cell_length_b [5.5263]
_cell_length_c [12.9940]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8004]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li6Tl3Rh2]
_chemical_formula_sum '[Li12 Tl6 Rh4]'
_cell_volume [403.0157]
_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  0.1192  0.1806  0.8070  1
  Li  Li1  4  0.2300  0.6527  0.8859  1
  Li  Li2  4  0.4090  0.0259  0.1701  1
  Tl  Tl3  4  0.2638  0.5274  0.1263  1
  Tl  Tl4  2  0.0000  0.0000  0.0000  1
  Rh  Rh5  4  0.4172  0.2300  0.9770  1
]