data_[Ac1Nd7Y3]
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 [P3m1]
_cell_length_a [7.3105]
_cell_length_b [7.3105]
_cell_length_c [8.8116]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [AcNd7Y3]
_chemical_formula_sum '[Ac1 Nd7 Y3]'
_cell_volume [407.8301]
_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
[
  Ac  Ac0  1  0.3333  0.6667  0.5585  1
  Nd  Nd1  3  0.1661  0.3321  0.8926  1
  Nd  Nd2  3  0.3341  0.1671  0.5437  1
  Nd  Nd3  1  0.6667  0.3333  0.8760  1
  Y  Y4  3  0.5014  0.0029  0.2139  1
]