data_[Nd2Dy6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Dy  1.2200  1.7500  1.1310
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.6316]
_cell_length_b [4.1481]
_cell_length_c [11.9315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0769]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd(DySe2)3]
_chemical_formula_sum '[Nd2 Dy6 Se12]'
_cell_volume [544.0625]
_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
[
  Nd  Nd0  2  0.0467  0.7500  0.6948  1.0
  Dy  Dy1  2  0.1591  0.7500  0.0853  1.0
  Dy  Dy2  2  0.3190  0.2500  0.4993  1.0
  Dy  Dy3  2  0.4374  0.7500  0.8332  1.0
  Se  Se4  2  0.0836  0.2500  0.9046  1.0
  Se  Se5  2  0.1164  0.7500  0.4653  1.0
  Se  Se6  2  0.1959  0.2500  0.2502  1.0
  Se  Se7  2  0.2600  0.2500  0.7259  1.0
  Se  Se8  2  0.3942  0.7500  0.0598  1.0
  Se  Se9  2  0.4805  0.7500  0.6143  1.0
]