data_[Li6Dy9Mg21]
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 [R-3m]
_cell_length_a [6.0177]
_cell_length_b [6.0177]
_cell_length_c [28.2372]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li2Dy3Mg7]
_chemical_formula_sum '[Li6 Dy9 Mg21]'
_cell_volume [885.5601]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3337  1
  Dy  Dy1  6  0.0000  0.0000  0.1400  1
  Dy  Dy2  3  0.0000  0.0000  0.0000  1
  Mg  Mg3  18  0.0043  0.5022  0.9196  1
  Mg  Mg4  3  -0.0000  -0.0000  0.5000  1
]