data_[Hg3H2Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  H  2.2000  0.2500  0.0000
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.0362]
_cell_length_b [6.1336]
_cell_length_c [6.6244]
_cell_angle_alpha [68.0996]
_cell_angle_beta [83.1783]
_cell_angle_gamma [75.8938]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Hg3H2Au]
_chemical_formula_sum '[Hg3 H2 Au1]'
_cell_volume [110.9560]
_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
[
  Hg  Hg0  2  0.0089  0.1948  0.6062  1
  Hg  Hg1  1  0.0000  0.5000  0.0000  1
  H  H2  2  0.0152  0.3698  0.2946  1
  Au  Au3  1  0.5000  0.0000  0.0000  1
]