data_[Tb3Er3Tm6S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.8497]
_cell_length_b [6.8497]
_cell_length_c [18.3905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [TbEr(TmS3)2]
_chemical_formula_sum '[Tb3 Er3 Tm6 S18]'
_cell_volume [747.2545]
_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  0.3143  1.0
  Er  Er1  3  0.0000  0.0000  0.8160  1.0
  Tm  Tm2  3  0.0000  0.0000  0.0158  1.0
  Tm  Tm3  3  0.0000  0.0000  0.5147  1.0
  S  S4  9  0.0321  0.6705  0.0836  1.0
  S  S5  9  0.0381  0.3625  0.5831  1.0
]