data_[Tb6Nd4Dy2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  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 [17.3500]
_cell_length_b [3.9508]
_cell_length_c [7.9777]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5522]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3Nd2DyS6]
_chemical_formula_sum '[Tb6 Nd4 Dy2 S12]'
_cell_volume [531.6117]
_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  4  0.1687  0.0000  0.8331  1.0
  Tb  Tb1  2  0.0000  0.5000  0.5000  1.0
  Nd  Nd2  4  0.1674  0.0000  0.3354  1.0
  Dy  Dy3  2  0.0000  0.5000  0.0000  1.0
  S  S4  4  0.0035  0.0000  0.7537  1.0
  S  S5  4  0.1634  0.5000  0.5910  1.0
  S  S6  4  0.1651  0.5000  0.0737  1.0
]