data_[Li8Mg6Au4]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9829]
_cell_length_b [4.5806]
_cell_length_c [8.5323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7954]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li4Mg3Au2]
_chemical_formula_sum '[Li8 Mg6 Au4]'
_cell_volume [320.3997]
_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  0.0179  0.0000  0.6677  1
  Li  Li1  4  0.1520  0.5000  0.8931  1
  Mg  Mg2  4  0.1834  0.5000  0.5658  1
  Mg  Mg3  2  0.0000  0.0000  0.0000  1
  Au  Au4  4  0.1678  0.5000  0.2247  1
]