data_[Li12Y2Mg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.5114]
_cell_length_b [9.9633]
_cell_length_c [10.1886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li6YMg6]
_chemical_formula_sum '[Li12 Y2 Mg12]'
_cell_volume [559.4737]
_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  8  0.2500  0.2500  0.2500  1.0
  Li  Li1  4  0.0000  0.5000  0.2791  1.0
  Y  Y2  2  0.0000  0.0000  0.0000  1.0
  Mg  Mg3  4  0.0000  0.0000  0.3504  1.0
  Mg  Mg4  4  0.0000  0.3017  0.5000  1.0
  Mg  Mg5  4  0.0000  0.3479  0.0000  1.0
]