data_[Tb6Ho2Se12]
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 [P2_1/m]
_cell_length_a [11.5908]
_cell_length_b [4.1072]
_cell_length_c [11.8841]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0412]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb3HoSe6]
_chemical_formula_sum '[Tb6 Ho2 Se12]'
_cell_volume [534.8042]
_cell_formula_units_Z [2]
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  2  0.1592  0.2500  0.0821  1
  Tb  Tb1  2  0.3171  0.7500  0.4976  1
  Tb  Tb2  2  0.4297  0.2500  0.8319  1
  Ho  Ho3  2  0.0423  0.2500  0.6904  1
  Se  Se4  2  0.0828  0.7500  0.8995  1
  Se  Se5  2  0.1094  0.2500  0.4645  1
  Se  Se6  2  0.1900  0.7500  0.2503  1
  Se  Se7  2  0.2503  0.7500  0.7213  1
  Se  Se8  2  0.3974  0.2500  0.0641  1
  Se  Se9  2  0.4804  0.2500  0.6157  1
]