data_[Tb6Pr2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.6850]
_cell_length_b [4.1752]
_cell_length_c [11.9915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0216]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb3PrSe6]
_chemical_formula_sum '[Tb6 Pr2 Se12]'
_cell_volume [553.0905]
_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  0.1592  0.7500  0.0856  1.0
  Tb  Tb1  2  0.3192  0.2500  0.4992  1.0
  Tb  Tb2  2  0.4381  0.7500  0.8331  1.0
  Pr  Pr3  2  0.0472  0.7500  0.6949  1.0
  Se  Se4  2  0.0839  0.2500  0.9049  1.0
  Se  Se5  2  0.1170  0.7500  0.4652  1.0
  Se  Se6  2  0.1960  0.2500  0.2502  1.0
  Se  Se7  2  0.2608  0.2500  0.7263  1.0
  Se  Se8  2  0.3941  0.7500  0.0594  1.0
  Se  Se9  2  0.4807  0.7500  0.6140  1.0
]