data_[Tb2Pa2Te4S2]
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
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3189]
_cell_length_b [4.3189]
_cell_length_c [14.8903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [TbPaTe2S]
_chemical_formula_sum '[Tb2 Pa2 Te4 S2]'
_cell_volume [277.7481]
_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  0.5000  0.9137  1
  Pa  Pa1  2  0.0000  0.5000  0.3855  1
  Te  Te2  2  0.0000  0.5000  0.1237  1
  Te  Te3  2  0.0000  0.5000  0.7009  1
  S  S4  2  0.0000  0.0000  0.5000  1
]