data_[Cs6Ca2Tb4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ca  1.0000  1.8000  1.1400
  Tb  1.1000  1.7500  0.9815
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2154]
_cell_length_b [12.5000]
_cell_length_c [8.3902]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6447]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3Ca(TbS3)2]
_chemical_formula_sum '[Cs6 Ca2 Tb4 S12]'
_cell_volume [725.0233]
_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  0.1637  0.5000  1.0
  Cs  Cs1  2  0.0000  0.5000  0.5000  1.0
  Ca  Ca2  2  0.0000  0.0000  0.0000  1.0
  Tb  Tb3  4  0.0000  0.3331  0.0000  1.0
  S  S4  8  0.2334  0.1721  0.1837  1.0
  S  S5  4  0.2168  0.5000  0.1821  1.0
]