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 [C2/c]
_cell_length_a [9.1071]
_cell_length_b [5.3982]
_cell_length_c [6.0587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0238]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li2Mg]
_chemical_formula_sum '[Li8 Mg4]'
_cell_volume [243.9194]
_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  8  0.1653  0.4149  0.2475  1.0
  Mg  Mg1  4  0.0000  0.0869  0.7500  1.0
]