data_[Li10Mg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.9117]
_cell_length_b [9.5902]
_cell_length_c [4.8848]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Li5Mg3]
_chemical_formula_sum '[Li10 Mg6]'
_cell_volume [323.7820]
_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  4  0.2404  0.0000  0.0000  1.0
  Li  Li1  4  0.2500  0.2500  0.5000  1.0
  Li  Li2  2  0.0000  0.0000  0.5000  1.0
  Mg  Mg3  4  0.0000  0.2588  0.0000  1.0
  Mg  Mg4  2  0.0000  0.5000  0.5000  1.0
]