data_[Tb4Pr8Mn4Se20]
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
  Mn  1.5500  1.4000  0.6483
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1017]
_cell_length_b [17.4973]
_cell_length_c [12.5713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [TbPr2MnSe5]
_chemical_formula_sum '[Tb4 Pr8 Mn4 Se20]'
_cell_volume [902.2389]
_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  0.1821  0.0243  1.0
  Pr  Pr1  4  0.0000  0.1187  0.3446  1.0
  Pr  Pr2  4  0.0000  0.1209  0.6936  1.0
  Mn  Mn3  4  0.0000  0.4466  0.4257  1.0
  Se  Se4  4  0.0000  0.0162  0.0222  1.0
  Se  Se5  4  0.0000  0.3026  0.6859  1.0
  Se  Se6  4  0.0000  0.3092  0.3591  1.0
  Se  Se7  4  0.0000  0.3454  0.0177  1.0
  Se  Se8  4  0.0000  0.4948  0.7508  1.0
]