data_[Li12Ac2Ga4]
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 [C2/m]
_cell_length_a [10.7482]
_cell_length_b [8.2743]
_cell_length_c [4.6192]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8540]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li6AcGa2]
_chemical_formula_sum '[Li12 Ac2 Ga4]'
_cell_volume [407.8714]
_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  8  0.2305  0.3300  0.7474  1
  Li  Li1  4  0.0000  0.3373  0.0000  1
  Ac  Ac2  2  0.0000  0.0000  0.5000  1
  Ga  Ga3  4  0.2127  0.5000  0.2375  1
]