data_[Li6Mg4Au4]
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 [8.1814]
_cell_length_b [4.6669]
_cell_length_c [7.1950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8519]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3(MgAu)2]
_chemical_formula_sum '[Li6 Mg4 Au4]'
_cell_volume [254.9788]
_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  0.1375  0.5000  0.4161  1.0
  Li  Li1  2  0.0000  0.5000  0.0000  1.0
  Mg  Mg2  4  0.0951  0.0000  0.7768  1.0
  Au  Au3  4  0.2277  0.0000  0.1976  1.0
]