data_[Li18Ga36Cu6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.1925]
_cell_length_b [9.1925]
_cell_length_c [14.3196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li3Ga6Cu]
_chemical_formula_sum '[Li18 Ga36 Cu6]'
_cell_volume [1047.9279]
_cell_formula_units_Z [6]
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  0.0677  0.5440  0.3225  1
  Ga  Ga1  18  0.0203  0.5373  0.1018  1
  Ga  Ga2  18  0.0490  0.1943  0.8660  1
  Cu  Cu3  3  -0.0000  0.0000  0.5000  1
  Cu  Cu4  3  0.0000  0.0000  0.0000  1
]