data_[Ac6La45Mg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.6513]
_cell_length_b [11.6513]
_cell_length_c [17.9500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac2La15Mg2]
_chemical_formula_sum '[Ac6 La45 Mg6]'
_cell_volume [2110.2913]
_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
[
  La  La0  18  0.0000  0.2926  0.0000  1
  La  La1  18  0.0187  0.5093  0.1429  1
  La  La2  9  0.0000  0.5000  0.5000  1
  Ac  Ac3  6  0.0000  0.0000  0.3171  1
  Mg  Mg4  6  0.0000  0.0000  0.0922  1
]