data_[Na2Ac2Nd2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [P2_1/m]
_cell_length_a [8.7798]
_cell_length_b [4.2901]
_cell_length_c [9.5071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3072]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaAcNdSe3]
_chemical_formula_sum '[Na2 Ac2 Nd2 Se6]'
_cell_volume [345.3889]
_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
[
  Na  Na0  2  0.0985  0.7500  0.5882  1
  Ac  Ac1  2  0.1993  0.7500  0.2267  1
  Nd  Nd2  2  0.3370  0.2500  0.8504  1
  Se  Se3  2  0.0950  0.7500  0.8774  1
  Se  Se4  2  0.2428  0.2500  0.4929  1
  Se  Se5  2  0.4384  0.2500  0.1745  1
]