data_[Ac4Nd8Y2]
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 [C2/m]
_cell_length_a [10.0271]
_cell_length_b [6.1653]
_cell_length_c [9.5071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.0415]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac2Nd4Y]
_chemical_formula_sum '[Ac4 Nd8 Y2]'
_cell_volume [523.4809]
_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  4  0.2200  0.5000  0.1422  1
  Nd  Nd1  4  0.0550  0.5000  0.7023  1
  Nd  Nd2  4  0.1454  0.0000  0.4205  1
  Y  Y3  2  0.0000  0.0000  0.0000  1
]