data_[Li1Nd5Dy4]
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
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6243]
_cell_length_b [3.6243]
_cell_length_c [24.5868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [LiNd5Dy4]
_chemical_formula_sum '[Li1 Nd5 Dy4]'
_cell_volume [322.9529]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Nd  Nd1  2  0.5000  0.5000  0.0880  1
  Nd  Nd2  2  0.5000  0.5000  0.2934  1
  Nd  Nd3  1  0.5000  0.5000  0.5000  1
  Dy  Dy4  2  0.0000  0.0000  0.1896  1
  Dy  Dy5  2  0.0000  0.0000  0.3966  1
]