data_[Tb6H2C2S2]
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
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.7499]
_cell_length_b [3.6684]
_cell_length_c [7.9647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6089]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb3HCS]
_chemical_formula_sum '[Tb6 H2 C2 S2]'
_cell_volume [220.9755]
_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  0.1241  0.2500  0.8606  1.0
  Tb  Tb1  2  0.2300  0.7500  0.5248  1.0
  Tb  Tb2  2  0.4443  0.7500  0.1625  1.0
  H  H3  2  0.0769  0.2500  0.5760  1.0
  C  C4  2  0.3316  0.7500  0.8394  1.0
  S  S5  2  0.1721  0.2500  0.2203  1.0
]