data_[Tb9Ho6Se18]
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 [R-3m]
_cell_length_a [4.1091]
_cell_length_b [4.1091]
_cell_length_c [60.6456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb3(HoSe3)2]
_chemical_formula_sum '[Tb9 Ho6 Se18]'
_cell_volume [886.8110]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.2794  1.0
  Tb  Tb1  3  0.0000  0.0000  0.0000  1.0
  Ho  Ho2  6  0.0000  0.0000  0.4466  1.0
  Se  Se3  6  0.0000  0.0000  0.0827  1.0
  Se  Se4  6  0.0000  0.0000  0.1972  1.0
  Se  Se5  6  0.0000  0.0000  0.3606  1.0
]