data_[Nd2Dy2Se6]
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 [8.1697]
_cell_length_b [4.1245]
_cell_length_c [8.2894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.8063]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NdDySe3]
_chemical_formula_sum '[Nd2 Dy2 Se6]'
_cell_volume [278.3368]
_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  0.3793  0.7500  0.2293  1
  Dy  Dy1  2  0.1460  0.2500  0.6758  1
  Se  Se2  2  0.1014  0.2500  0.3200  1
  Se  Se3  2  0.3162  0.2500  0.9761  1
  Se  Se4  2  0.3755  0.7500  0.6108  1
]