data_[Li8Mg4]
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 [Cm]
_cell_length_a [11.3417]
_cell_length_b [3.1002]
_cell_length_c [7.2903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1734]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Li2Mg]
_chemical_formula_sum '[Li8 Mg4]'
_cell_volume [246.1939]
_cell_formula_units_Z [4]
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  0.0011  0.0000  0.0015  1.0
  Li  Li1  2  0.1667  0.5000  0.3344  1.0
  Li  Li2  2  0.2221  0.5000  0.9439  1.0
  Li  Li3  2  0.3343  0.0000  0.6683  1.0
  Mg  Mg4  2  0.0575  0.0000  0.6146  1.0
  Mg  Mg5  2  0.3850  0.0000  0.2707  1.0
]