data_[Ce2Dy6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Dy  1.2200  1.7500  1.1310
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.0725]
_cell_length_b [3.9809]
_cell_length_c [11.3362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6311]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ce(DyS2)3]
_chemical_formula_sum '[Ce2 Dy6 S12]'
_cell_volume [473.5001]
_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
[
  Ce  Ce0  2  0.0478  0.7500  0.6930  1.0
  Dy  Dy1  2  0.1604  0.7500  0.0859  1.0
  Dy  Dy2  2  0.3198  0.2500  0.4987  1.0
  Dy  Dy3  2  0.4393  0.7500  0.8325  1.0
  S  S4  2  0.0823  0.2500  0.9048  1.0
  S  S5  2  0.1171  0.7500  0.4629  1.0
  S  S6  2  0.1942  0.2500  0.2495  1.0
  S  S7  2  0.2625  0.2500  0.7272  1.0
  S  S8  2  0.3957  0.7500  0.0601  1.0
  S  S9  2  0.4783  0.7500  0.6119  1.0
]