data_[Ac12Ga4Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ga  1.8100  1.3000  0.7600
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.8052]
_cell_length_b [4.3344]
_cell_length_c [9.1121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6903]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac3GaSi]
_chemical_formula_sum '[Ac12 Ga4 Si4]'
_cell_volume [662.9961]
_cell_formula_units_Z [4]
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
[
  Ac  Ac0  4  0.0462  0.0000  0.1744  1
  Ac  Ac1  4  0.0978  0.5000  0.5813  1
  Ac  Ac2  4  0.2392  0.0000  0.8258  1
  Ga  Ga3  4  0.2123  0.0000  0.4328  1
  Si  Si4  4  0.1078  0.5000  0.9329  1
]