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 [Pmma]
_cell_length_a [4.1230]
_cell_length_b [3.8563]
_cell_length_c [8.0684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [Li3HAu]
_chemical_formula_sum '[Li6 H2 Au2]'
_cell_volume [128.2822]
_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  2  0.2500  0.0000  0.3734  1.0
  Li  Li1  2  0.2500  0.0000  0.8733  1.0
  Li  Li2  2  0.2500  0.5000  0.6520  1.0
  H  H3  2  0.2500  0.0000  0.6154  1.0
  Au  Au4  2  0.2500  0.5000  0.1291  1.0
]