data_[Li1Dy5Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Dy  1.2200  1.7500  1.1310
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4065]
_cell_length_b [3.4065]
_cell_length_c [18.2371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [LiDy5Ru4]
_chemical_formula_sum '[Li1 Dy5 Ru4]'
_cell_volume [211.6262]
_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  1.0
  Dy  Dy1  2  0.5000  0.5000  0.1298  1.0
  Dy  Dy2  2  0.5000  0.5000  0.3127  1.0
  Dy  Dy3  1  0.5000  0.5000  0.5000  1.0
  Ru  Ru4  2  0.0000  0.0000  0.2145  1.0
  Ru  Ru5  2  0.0000  0.0000  0.4054  1.0
]