data_[Ac2Nd2Si8]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.1864]
_cell_length_b [4.1864]
_cell_length_c [15.2455]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [AcNdSi4]
_chemical_formula_sum '[Ac2 Nd2 Si8]'
_cell_volume [267.1961]
_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  2  0.0000  0.0000  0.0000  1
  Nd  Nd1  2  0.0000  0.5000  0.7500  1
  Si  Si2  4  0.0000  0.0000  0.4080  1
  Si  Si3  4  0.0000  0.5000  0.1717  1
]