data_[Tb8Zr4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Zr  1.3300  1.5500  0.8600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.1977]
_cell_length_b [8.1145]
_cell_length_c [7.6375]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Tb2ZrSe5]
_chemical_formula_sum '[Tb8 Zr4 Se20]'
_cell_volume [755.9448]
_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  0.1797  0.0045  0.5217  1
  Zr  Zr1  4  0.0058  0.7500  0.0807  1
  Se  Se2  8  0.0951  0.0387  0.1612  1
  Se  Se3  4  0.0029  0.7500  0.4509  1
  Se  Se4  4  0.1800  0.7500  0.8293  1
  Se  Se5  4  0.2089  0.2500  0.8084  1
]