data_[Tb8Pr4Cu4Se20]
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
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0033]
_cell_length_b [19.2620]
_cell_length_c [11.6637]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb2PrCuSe5]
_chemical_formula_sum '[Tb8 Pr4 Cu4 Se20]'
_cell_volume [899.4118]
_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  4  0.0000  0.0905  0.6828  1.0
  Tb  Tb1  4  0.0000  0.1098  0.3096  1.0
  Pr  Pr2  4  0.0000  0.1938  0.0096  1.0
  Cu  Cu3  4  0.0000  0.4320  0.4511  1.0
  Se  Se4  4  0.0000  0.0456  0.0622  1.0
  Se  Se5  4  0.0000  0.3022  0.6970  1.0
  Se  Se6  4  0.0000  0.3289  0.3256  1.0
  Se  Se7  4  0.0000  0.3595  0.0047  1.0
  Se  Se8  4  0.0000  0.4966  0.7814  1.0
]