data_[Cs6Tb4Dy2S12]
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
  Dy  1.2200  1.7500  1.1310
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1339]
_cell_length_b [12.3562]
_cell_length_c [8.4125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4225]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3Tb2DyS6]
_chemical_formula_sum '[Cs6 Tb4 Dy2 S12]'
_cell_volume [711.2947]
_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  0.1669  0.5000  1.0
  Cs  Cs1  2  0.0000  0.5000  0.5000  1.0
  Tb  Tb2  4  0.0000  0.3333  0.0000  1.0
  Dy  Dy3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2268  0.1661  0.1819  1.0
  S  S5  4  0.2285  0.5000  0.1820  1.0
]