data_[Li6H2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  H  2.2000  0.2500  0.0000
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.7076]
_cell_length_b [5.4339]
_cell_length_c [5.0926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5679]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li3HAu]
_chemical_formula_sum '[Li6 H2 Au2]'
_cell_volume [130.1417]
_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  0.2784  0.5001  0.8485  1
  Li  Li1  2  0.2636  0.7500  0.3519  1
  H  H2  2  0.4618  0.7500  0.0473  1
  Au  Au3  2  0.1913  0.2500  0.3660  1
]