data_[Sm6Dy2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  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 [11.1887]
_cell_length_b [4.0233]
_cell_length_c [11.4896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2795]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm3DyS6]
_chemical_formula_sum '[Sm6 Dy2 S12]'
_cell_volume [491.1085]
_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
[
  Sm  Sm0  2  0.1610  0.7500  0.0824  1.0
  Sm  Sm1  2  0.3170  0.2500  0.4949  1.0
  Sm  Sm2  2  0.4272  0.7500  0.8305  1.0
  Dy  Dy3  2  0.0420  0.7500  0.6862  1.0
  S  S4  2  0.0828  0.2500  0.8993  1.0
  S  S5  2  0.1073  0.7500  0.4615  1.0
  S  S6  2  0.1854  0.2500  0.2494  1.0
  S  S7  2  0.2483  0.2500  0.7198  1.0
  S  S8  2  0.4022  0.7500  0.0673  1.0
  S  S9  2  0.4773  0.7500  0.6128  1.0
]