data_[Ba2Tb2B2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tb  1.1000  1.7500  0.9815
  B  2.0400  0.8500  0.4100
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1551]
_cell_length_b [6.4341]
_cell_length_c [8.3990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3095]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaTbBS4]
_chemical_formula_sum '[Ba2 Tb2 B2 S8]'
_cell_volume [315.7813]
_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
[
  Ba  Ba0  2  0.2838  0.2500  0.0745  1.0
  Tb  Tb1  2  0.2274  0.2500  0.5500  1.0
  B  B2  2  0.2097  0.7500  0.3163  1.0
  S  S3  4  0.0094  0.5102  0.2744  1.0
  S  S4  2  0.3899  0.7500  0.5519  1.0
  S  S5  2  0.3959  0.7500  0.1643  1.0
]