data_[Tb8Ho8Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ho  1.2300  1.7500  1.0410
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [14.6316]
_cell_length_b [7.6433]
_cell_length_c [7.6493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Tb2Ho2Se5]
_chemical_formula_sum '[Tb8 Ho8 Se20]'
_cell_volume [855.4552]
_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  0.1971  0.0000  0.0000  1
  Ho  Ho1  8  0.0000  0.1506  0.6556  1
  Se  Se2  16  0.1391  0.1596  0.3453  1
  Se  Se3  4  0.0000  0.0000  0.0000  1
]