data_[Li18In36Cu3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.6806]
_cell_length_b [10.6806]
_cell_length_c [12.8001]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li6In12Cu]
_chemical_formula_sum '[Li18 In36 Cu3]'
_cell_volume [1264.5365]
_cell_formula_units_Z [3]
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  18  0.0314  0.5991  0.7077  1.0
  In  In1  18  0.0295  0.8433  0.8288  1.0
  In  In2  18  0.0475  0.2014  0.4052  1.0
  Cu  Cu3  3  0.0000  0.0000  0.0000  1.0
]