data_[Tb8H4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  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 [14.0158]
_cell_length_b [3.7884]
_cell_length_c [6.8745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6091]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2HAu]
_chemical_formula_sum '[Tb8 H4 Au4]'
_cell_volume [339.3622]
_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
[
  Tb  Tb0  4  0.0194  0.0000  0.7732  1.0
  Tb  Tb1  4  0.2043  0.5000  0.2203  1.0
  H  H2  4  0.1128  0.0000  0.1139  1.0
  Au  Au3  4  0.1209  0.5000  0.5789  1.0
]