data_[Ac12Ce4Ga12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ce  1.1200  1.8500  1.0800
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0208]
_cell_length_b [12.2968]
_cell_length_c [7.5330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8074]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac3CeGa3]
_chemical_formula_sum '[Ac12 Ce4 Ga12]'
_cell_volume [927.7860]
_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  0.0000  0.1496  0.5000  1
  Ac  Ac1  4  0.0000  0.2526  0.0000  1
  Ac  Ac2  4  0.1597  0.5000  0.3575  1
  Ce  Ce3  4  0.2399  0.5000  0.8521  1
  Ga  Ga4  8  0.2309  0.2853  0.6764  1
  Ga  Ga5  4  0.0524  0.0000  0.8460  1
]