data_[Tb3Er3Al6S18]
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
  Al  1.6100  1.2500  0.6750
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.4153]
_cell_length_b [6.4153]
_cell_length_c [19.1753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [TbEr(AlS3)2]
_chemical_formula_sum '[Tb3 Er3 Al6 S18]'
_cell_volume [683.4526]
_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  0.5000  1.0
  Er  Er1  3  0.0000  0.0000  0.0000  1.0
  Al  Al2  6  0.0000  0.0000  0.1735  1.0
  S  S3  18  0.0071  0.3689  0.5723  1.0
]