data_[Nd6Dy2Se12]
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/c]
_cell_length_a [7.0304]
_cell_length_b [7.7567]
_cell_length_c [12.6843]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.6854]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd3DySe6]
_chemical_formula_sum '[Nd6 Dy2 Se12]'
_cell_volume [582.1784]
_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  4  0.2022  0.1029  0.7471  1.0
  Nd  Nd1  2  0.5000  0.0000  0.5000  1.0
  Dy  Dy2  2  0.0000  0.0000  0.0000  1.0
  Se  Se3  4  0.0873  0.1856  0.4204  1.0
  Se  Se4  4  0.2420  0.6800  0.4183  1.0
  Se  Se5  4  0.4030  0.0600  0.2444  1.0
]