data_[Tb4Tl4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tl  1.6200  1.9000  1.3325
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7759]
_cell_length_b [3.7841]
_cell_length_c [4.9447]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9880]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbTlH]
_chemical_formula_sum '[Tb4 Tl4 H4]'
_cell_volume [237.7490]
_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  0.1566  0.5000  0.2852  1.0
  Tl  Tl1  4  0.0749  0.0000  0.7687  1.0
  H  H2  4  0.2335  0.0000  0.3514  1.0
]