data_[Li4Ga5Au2]
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 [P2/m]
_cell_length_a [6.9010]
_cell_length_b [2.8615]
_cell_length_c [9.3725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6356]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li4Ga5Au2]
_chemical_formula_sum '[Li4 Ga5 Au2]'
_cell_volume [184.7086]
_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  2  0.1733  0.5000  0.8887  1.0
  Li  Li1  2  0.2659  0.5000  0.4448  1.0
  Ga  Ga2  2  0.1899  0.0000  0.1576  1.0
  Ga  Ga3  2  0.4511  0.0000  0.7017  1.0
  Ga  Ga4  1  0.5000  0.0000  0.0000  1.0
  Au  Au5  2  0.0700  0.0000  0.6470  1.0
]