data_[Tb3Tm6Al3S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tm  1.2500  1.7500  1.0950
  Al  1.6100  1.2500  0.6750
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.6736]
_cell_length_b [6.6736]
_cell_length_c [17.8501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [TbTm2AlS6]
_chemical_formula_sum '[Tb3 Tm6 Al3 S18]'
_cell_volume [688.4761]
_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  3  0.0000  0.0000  0.1848  1
  Tm  Tm1  3  0.0000  0.0000  0.4792  1
  Tm  Tm2  3  0.0000  0.0000  0.9834  1
  Al  Al3  3  0.0000  0.0000  0.6788  1
  S  S4  9  0.0007  0.3667  0.4150  1
  S  S5  9  0.0492  0.6722  0.2557  1
]