data_[Ac1Tb15Nd4]
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 [P4/mmm]
_cell_length_a [5.1067]
_cell_length_b [5.1067]
_cell_length_c [25.4193]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [AcTb15Nd4]
_chemical_formula_sum '[Ac1 Tb15 Nd4]'
_cell_volume [662.8937]
_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  4  0.0000  0.5000  0.1034  1
  Tb  Tb1  4  0.0000  0.5000  0.3015  1
  Tb  Tb2  2  0.0000  0.5000  0.5000  1
  Tb  Tb3  2  0.5000  0.5000  0.2024  1
  Tb  Tb4  2  0.5000  0.5000  0.4007  1
  Ac  Ac5  1  0.0000  0.0000  0.0000  1
  Tb  Tb6  1  0.5000  0.5000  0.0000  1
  Nd  Nd7  2  0.0000  0.0000  0.2016  1
  Nd  Nd8  2  0.0000  0.0000  0.4007  1
]