data_[Ba12H2Rh2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  H  2.2000  0.2500  0.0000
  Rh  2.2800  1.3500  0.7450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.6649]
_cell_length_b [8.5427]
_cell_length_c [13.7362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.5611]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6HRhAu2]
_chemical_formula_sum '[Ba12 H2 Rh2 Au4]'
_cell_volume [749.4886]
_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  0.1113  0.1803  0.9353  1.0
  Ba  Ba1  4  0.2589  0.6845  0.9383  1.0
  Ba  Ba2  4  0.3810  0.0359  0.7486  1.0
  H  H3  2  0.0000  0.0000  0.5000  1.0
  Rh  Rh4  2  0.5000  0.0000  0.0000  1.0
  Au  Au5  4  0.2010  0.1078  0.2503  1.0
]