data_[Ac4Nd2Mg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.7220]
_cell_length_b [5.7220]
_cell_length_c [17.3093]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ac2NdMg4]
_chemical_formula_sum '[Ac4 Nd2 Mg8]'
_cell_volume [566.7244]
_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  0.0000  0.0000  0.3853  1
  Nd  Nd1  2  0.0000  0.0000  0.0000  1
  Mg  Mg2  4  0.0000  0.0000  0.1778  1
  Mg  Mg3  4  0.0000  0.5000  0.0000  1
]