data_[Ac2Tb4Nd7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [6.3461]
_cell_length_b [6.3461]
_cell_length_c [13.4020]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [162]
_chemical_formula_structural [Ac2Tb4Nd7]
_chemical_formula_sum '[Ac2 Tb4 Nd7]'
_cell_volume [467.4216]
_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
[
  Tb  Tb0  2  0.0000  0.0000  0.3941  1
  Ac  Ac1  2  0.3333  0.6667  0.0000  1
  Tb  Tb2  2  0.3333  0.6667  0.5000  1
  Nd  Nd3  6  0.0000  0.3699  0.7719  1
  Nd  Nd4  1  0.0000  0.0000  0.0000  1
]