data_[Tb6Si2H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Si  1.9000  1.1000  0.5400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.6856]
_cell_length_b [6.0733]
_cell_length_c [7.7686]
_cell_angle_alpha [67.4404]
_cell_angle_beta [81.9530]
_cell_angle_gamma [63.4219]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tb3SiH]
_chemical_formula_sum '[Tb6 Si2 H2]'
_cell_volume [221.3828]
_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
[
  Tb  Tb0  2  0.0820  0.7220  0.6867  1
  Tb  Tb1  2  0.2482  0.6714  0.1578  1
  Tb  Tb2  2  0.3813  0.1209  0.6502  1
  Si  Si3  2  0.2857  0.2058  0.0029  1
  H  H4  2  0.0169  0.8587  0.3710  1
]