data_[Li12Mg4Au4]
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 [Cmcm]
_cell_length_a [4.7022]
_cell_length_b [14.1109]
_cell_length_c [5.3149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Li3MgAu]
_chemical_formula_sum '[Li12 Mg4 Au4]'
_cell_volume [352.6535]
_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  0.0000  0.2980  0.5011  1.0
  Li  Li1  4  0.0000  0.4672  0.7500  1.0
  Mg  Mg2  4  0.0000  0.0825  0.7500  1.0
  Au  Au3  4  0.0000  0.1298  0.2500  1.0
]