data_[Ac4Mg6Al4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5431]
_cell_length_b [4.8536]
_cell_length_c [7.3118]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6627]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac2Mg3Al2]
_chemical_formula_sum '[Ac4 Mg6 Al4]'
_cell_volume [394.4368]
_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
[
  Ac  Ac0  4  0.1218  0.5000  0.3657  1
  Mg  Mg1  4  0.1942  0.5000  0.8809  1
  Mg  Mg2  2  0.0000  0.0000  0.0000  1
  Al  Al3  4  0.0927  0.0000  0.6792  1
]