data_[Sm2Dy6S12]
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 [11.0490]
_cell_length_b [3.9720]
_cell_length_c [11.3249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6592]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm(DyS2)3]
_chemical_formula_sum '[Sm2 Dy6 S12]'
_cell_volume [470.8853]
_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  0.0464  0.2500  0.1923  1
  Dy  Dy1  2  0.1609  0.2500  0.5853  1
  Dy  Dy2  2  0.3187  0.7500  0.9974  1
  Dy  Dy3  2  0.4364  0.2500  0.3319  1
  S  S4  2  0.0823  0.7500  0.4036  1
  S  S5  2  0.1145  0.2500  0.9630  1
  S  S6  2  0.1936  0.7500  0.7491  1
  S  S7  2  0.2591  0.7500  0.2254  1
  S  S8  2  0.3971  0.2500  0.5616  1
  S  S9  2  0.4776  0.2500  0.1120  1
]