data_[Tb8Pr4Se20]
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 [I4/mcm]
_cell_length_a [7.7021]
_cell_length_b [7.7021]
_cell_length_c [13.2726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Tb2PrSe5]
_chemical_formula_sum '[Tb8 Pr4 Se20]'
_cell_volume [787.3549]
_cell_formula_units_Z [4]
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  8  0.1558  0.6558  0.5000  1
  Pr  Pr1  4  0.0000  0.0000  0.2500  1
  Se  Se2  16  0.1539  0.3461  0.3542  1
  Se  Se3  4  0.0000  0.0000  0.0000  1
]