data_[Li12H4Au4]
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 [Cmc2_1]
_cell_length_a [2.7497]
_cell_length_b [20.2937]
_cell_length_c [4.5260]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Li3HAu]
_chemical_formula_sum '[Li12 H4 Au4]'
_cell_volume [252.5643]
_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  4  0.0000  0.1591  0.1862  1.0
  Li  Li1  4  0.0000  0.2893  0.1692  1.0
  Li  Li2  4  0.0000  0.4641  0.6900  1.0
  H  H3  4  0.0000  0.2746  0.7304  1.0
  Au  Au4  4  0.0000  0.0860  0.6897  1.0
]