data_[Li2Dy2Mg22]
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 [C2/m]
_cell_length_a [5.8599]
_cell_length_b [14.3724]
_cell_length_c [7.7449]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4429]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiDyMg11]
_chemical_formula_sum '[Li2 Dy2 Mg22]'
_cell_volume [607.1281]
_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
[
  Li  Li0  2  0.0000  0.5000  0.5000  1
  Dy  Dy1  2  0.0000  0.0000  0.0000  1
  Mg  Mg2  8  0.0985  0.3955  0.2138  1
  Mg  Mg3  8  0.1762  0.8262  0.3516  1
  Mg  Mg4  4  0.2500  0.2500  0.0000  1
  Mg  Mg5  2  0.0000  0.0000  0.5000  1
]