data_[Tb2Pa6S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pa  1.5000  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.8863]
_cell_length_b [7.7840]
_cell_length_c [6.6291]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3094]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [TbPa3S4]
_chemical_formula_sum '[Tb2 Pa6 S8]'
_cell_volume [335.3537]
_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  0.0000  0.1246  0.2500  1
  Pa  Pa1  2  0.0000  0.3781  0.7500  1
  Pa  Pa2  2  0.5000  0.1262  0.7500  1
  Pa  Pa3  2  0.5000  0.3775  0.2500  1
  S  S4  4  0.2478  0.3727  0.4989  1
  S  S5  4  0.2480  0.1251  0.9994  1
]