data_[Li1Ac3Ga2Cu6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ac  1.1000  1.9500  1.2600
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.0665]
_cell_length_b [6.0665]
_cell_length_c [8.1454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [LiAc3(GaCu3)2]
_chemical_formula_sum '[Li1 Ac3 Ga2 Cu6]'
_cell_volume [259.6088]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Ac  Ac1  2  0.3333  0.6667  0.7378  1
  Ac  Ac2  1  0.0000  0.0000  0.0000  1
  Ga  Ga3  2  0.3333  0.6667  0.1306  1
  Cu  Cu4  6  0.1958  0.3916  0.3859  1
]