data_[Li8Mg2Au4]
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 [P2_1/m]
_cell_length_a [7.2294]
_cell_length_b [5.1887]
_cell_length_c [7.2496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.4010]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li4MgAu2]
_chemical_formula_sum '[Li8 Mg2 Au4]'
_cell_volume [243.5782]
_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  0.4399  0.5005  0.7877  1.0
  Li  Li1  2  0.0619  0.7500  0.8624  1.0
  Li  Li2  2  0.0842  0.2500  0.5536  1.0
  Mg  Mg3  2  0.2199  0.7500  0.3054  1.0
  Au  Au4  2  0.2089  0.2500  0.9579  1.0
  Au  Au5  2  0.3602  0.2500  0.4180  1.0
]