data_[Ac6La1Nd2]
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
  Nd  1.1400  1.8500  1.2765
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.9108]
_cell_length_b [3.9108]
_cell_length_c [29.0609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Ac6LaNd2]
_chemical_formula_sum '[Ac6 La1 Nd2]'
_cell_volume [384.9162]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.2224  1
  Ac  Ac1  2  0.0000  0.0000  0.4338  1
  Ac  Ac2  2  0.3333  0.6667  0.8912  1
  La  La3  1  0.0000  0.0000  0.0000  1
  Nd  Nd4  2  0.3333  0.6667  0.3301  1
]