data_[Ac2Nd2Cu2Se8]
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
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.2182]
_cell_length_b [6.0420]
_cell_length_c [8.6318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1342]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [AcNdCuSe4]
_chemical_formula_sum '[Ac2 Nd2 Cu2 Se8]'
_cell_volume [359.7417]
_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  0.2628  0.2500  0.0674  1
  Nd  Nd1  2  0.2682  0.2500  0.5636  1
  Cu  Cu2  2  0.2549  0.7500  0.3163  1
  Se  Se3  4  0.0130  0.5095  0.7426  1
  Se  Se4  2  0.4237  0.7500  0.6010  1
  Se  Se5  2  0.4275  0.7500  0.1156  1
]