data_[Li8Dy4Mg20]
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
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.7217]
_cell_length_b [7.7217]
_cell_length_c [12.6294]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Li2DyMg5]
_chemical_formula_sum '[Li8 Dy4 Mg20]'
_cell_volume [753.0294]
_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  8  0.1542  0.6542  0.5000  1
  Dy  Dy1  4  0.0000  0.0000  0.2500  1
  Mg  Mg2  16  0.1457  0.3543  0.3501  1
  Mg  Mg3  4  0.0000  0.0000  0.0000  1
]