data_[Ce6Dy4Y2S12]
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
  Y  1.2200  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8461]
_cell_length_b [11.8608]
_cell_length_c [6.9381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3616]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3Dy2YS6]
_chemical_formula_sum '[Ce6 Dy4 Y2 S12]'
_cell_volume [531.5152]
_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  4  0.0000  0.1664  0.5000  1.0
  Ce  Ce1  2  0.0000  0.5000  0.5000  1.0
  Dy  Dy2  4  0.0000  0.3333  0.0000  1.0
  Y  Y3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2464  0.1670  0.2384  1.0
  S  S5  4  0.2455  0.5000  0.2382  1.0
]