data_[Ac2Nd8Se10]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2828]
_cell_length_b [4.2828]
_cell_length_c [30.3371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [AcNd4Se5]
_chemical_formula_sum '[Ac2 Nd8 Se10]'
_cell_volume [556.4503]
_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  4  0.0000  0.0000  0.1991  1
  Nd  Nd2  4  0.0000  0.0000  0.3970  1
  Se  Se3  4  0.0000  0.0000  0.1019  1
  Se  Se4  4  0.0000  0.0000  0.2984  1
  Se  Se5  2  0.0000  0.0000  0.5000  1
]