data_[Cs6Tb2Tm4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tb  1.1000  1.7500  0.9815
  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 [7.0695]
_cell_length_b [12.2437]
_cell_length_c [8.3977]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2987]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3Tb(TmS3)2]
_chemical_formula_sum '[Cs6 Tb2 Tm4 S12]'
_cell_volume [697.6595]
_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
[
  Cs  Cs0  4  0.0000  0.1661  0.5000  1.0
  Cs  Cs1  2  0.0000  0.5000  0.5000  1.0
  Tb  Tb2  2  0.0000  0.0000  0.0000  1.0
  Tm  Tm3  4  0.0000  0.3333  0.0000  1.0
  S  S4  8  0.2290  0.1689  0.1805  1.0
  S  S5  4  0.2224  0.5000  0.1802  1.0
]