data_[Li3Ac6Ga27]
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
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.9690]
_cell_length_b [5.9690]
_cell_length_c [26.1216]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LiAc2Ga9]
_chemical_formula_sum '[Li3 Ac6 Ga27]'
_cell_volume [806.0072]
_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  3  0.0000  0.0000  0.0000  1
  Ac  Ac1  6  0.0000  0.0000  0.1377  1
  Ga  Ga2  18  0.0172  0.5086  0.9195  1
  Ga  Ga3  6  0.0000  0.0000  0.3385  1
  Ga  Ga4  3  -0.0000  -0.0000  0.5000  1
]