data_[Tb3Er6Tm3S18]
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 [6.8593]
_cell_length_b [6.8593]
_cell_length_c [18.4166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [TbEr2TmS6]
_chemical_formula_sum '[Tb3 Er6 Tm3 S18]'
_cell_volume [750.4099]
_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  0.1854  1
  Er  Er1  3  0.0000  0.0000  0.4834  1
  Er  Er2  3  0.0000  0.0000  0.9848  1
  Tm  Tm3  3  0.0000  0.0000  0.6832  1
  S  S4  9  0.0060  0.7041  0.5839  1
  S  S5  9  0.0300  0.3625  0.7500  1
]