data_[Ac4Nd48Y8]
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
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [Cmme]
_cell_length_a [7.2467]
_cell_length_b [11.7365]
_cell_length_c [25.3895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [67]
_chemical_formula_structural [Ac(Nd6Y)2]
_chemical_formula_sum '[Ac4 Nd48 Y8]'
_cell_volume [2159.4043]
_cell_formula_units_Z [4]
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  0.2500  0.0134  1
  Nd  Nd1  8  0.0000  0.0222  0.9205  1
  Nd  Nd2  8  0.0000  0.0248  0.4406  1
  Nd  Nd3  8  0.2300  0.2500  0.5834  1
  Nd  Nd4  8  0.2399  0.2500  0.1403  1
  Nd  Nd5  8  0.2500  0.0000  0.2027  1
  Nd  Nd6  8  0.2500  0.0000  0.3275  1
  Y  Y7  4  0.0000  0.2500  0.2757  1
  Y  Y8  4  0.0000  0.2500  0.7293  1
]