data_[Li4Nd8Dy4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [Cmc2_1]
_cell_length_a [4.1403]
_cell_length_b [17.2998]
_cell_length_c [12.4558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiNd2DySe5]
_chemical_formula_sum '[Li4 Nd8 Dy4 Se20]'
_cell_volume [892.1636]
_cell_formula_units_Z [4]
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
[
  Li  Li0  4  0.0000  0.4861  0.4815  1.0
  Nd  Nd1  4  0.0000  0.1079  0.6854  1.0
  Nd  Nd2  4  0.0000  0.1251  0.2969  1.0
  Dy  Dy3  4  0.0000  0.1967  0.0024  1.0
  Se  Se4  4  0.0000  0.0468  0.0718  1.0
  Se  Se5  4  0.0000  0.2857  0.6608  1.0
  Se  Se6  4  0.0000  0.3077  0.3432  1.0
  Se  Se7  4  0.0000  0.3620  0.9978  1.0
  Se  Se8  4  0.0000  0.4994  0.2842  1.0
]