data_[Li2Ga3Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.0044]
_cell_length_b [4.4202]
_cell_length_c [7.8411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Li2Ga3Au]
_chemical_formula_sum '[Li2 Ga3 Au1]'
_cell_volume [104.1302]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.4870  1.0
  Li  Li1  1  0.0000  0.5000  0.0123  1.0
  Ga  Ga2  1  0.5000  0.0000  0.1666  1.0
  Ga  Ga3  1  0.5000  0.0000  0.8370  1.0
  Ga  Ga4  1  0.5000  0.5000  0.6631  1.0
  Au  Au5  1  0.5000  0.5000  0.3339  1.0
]