data_[Nd6Dy8Se16]
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 [C2/m]
_cell_length_a [11.7032]
_cell_length_b [11.7107]
_cell_length_c [8.2583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.8074]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3(DySe2)4]
_chemical_formula_sum '[Nd6 Dy8 Se16]'
_cell_volume [803.0116]
_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  0.2500  0.2500  0.5000  1.0
  Nd  Nd1  2  0.0000  0.5000  0.5000  1.0
  Dy  Dy2  4  0.2500  0.2500  0.0000  1.0
  Dy  Dy3  2  0.0000  0.0000  0.0000  1.0
  Dy  Dy4  2  0.0000  0.0000  0.5000  1.0
  Se  Se5  4  0.0000  0.2456  0.5000  1.0
  Se  Se6  4  0.0000  0.2496  0.0000  1.0
  Se  Se7  4  0.2447  0.0000  0.4982  1.0
  Se  Se8  4  0.2458  0.0000  0.9914  1.0
]