data_[Tb6Tl2H2S2]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.2359]
_cell_length_b [4.0086]
_cell_length_c [8.6511]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3651]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb3TlHS]
_chemical_formula_sum '[Tb6 Tl2 H2 S2]'
_cell_volume [280.0078]
_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  0.1177  0.2500  0.8726  1.0
  Tb  Tb1  2  0.1826  0.7500  0.5387  1.0
  Tb  Tb2  2  0.4337  0.7500  0.1738  1.0
  Tl  Tl3  2  0.1734  0.2500  0.2534  1.0
  H  H4  2  0.0824  0.2500  0.6010  1.0
  S  S5  2  0.3436  0.7500  0.8513  1.0
]