data_[Li12Y3Mg24]
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 [R-3m]
_cell_length_a [5.9592]
_cell_length_b [5.9592]
_cell_length_c [30.9793]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li4YMg8]
_chemical_formula_sum '[Li12 Y3 Mg24]'
_cell_volume [952.7580]
_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  9  0.0000  0.5000  0.0000  1
  Li  Li1  3  0.0000  0.0000  0.0000  1
  Y  Y2  3  -0.0000  -0.0000  0.5000  1
  Mg  Mg3  18  0.0039  0.5020  0.7481  1
  Mg  Mg4  6  0.0000  0.0000  0.1895  1
]