data_[Tb2Ce4Tm6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ce  1.1200  1.8500  1.0800
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1977]
_cell_length_b [3.8847]
_cell_length_c [7.8905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4172]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbCe2(TmS2)3]
_chemical_formula_sum '[Tb2 Ce4 Tm6 S12]'
_cell_volume [510.5411]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.0000  1.0
  Ce  Ce1  4  0.1675  0.0000  0.3355  1.0
  Tm  Tm2  4  0.1673  0.0000  0.8320  1.0
  Tm  Tm3  2  0.0000  0.5000  0.5000  1.0
  S  S4  4  0.0038  0.0000  0.7467  1.0
  S  S5  4  0.1621  0.5000  0.5931  1.0
  S  S6  4  0.1679  0.5000  0.0722  1.0
]