data_[Tb2Pa2Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1862]
_cell_length_b [4.1092]
_cell_length_c [10.3968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6510]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TbPaSe3]
_chemical_formula_sum '[Tb2 Pa2 Se6]'
_cell_volume [300.6872]
_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  0.2642  0.2500  0.0200  1
  Pa  Pa1  2  0.1417  0.2500  0.6577  1
  Se  Se2  2  0.0555  0.7500  0.8448  1
  Se  Se3  2  0.2371  0.7500  0.4937  1
  Se  Se4  2  0.4848  0.7500  0.1676  1
]