data_[Ba4In2H12Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  H  2.2000  0.2500  0.0000
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6948]
_cell_length_b [4.9585]
_cell_length_c [7.4654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.7707]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2In(H3Au)2]
_chemical_formula_sum '[Ba4 In2 H12 Au4]'
_cell_volume [375.7723]
_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
[
  Ba  Ba0  4  0.2002  0.5000  0.2226  1
  In  In1  2  0.0000  0.5000  0.5000  1
  H  H2  8  0.1039  0.2592  0.8457  1
  H  H3  4  0.1771  0.0000  0.3546  1
  Au  Au4  4  0.0086  0.0000  0.2735  1
]