data_[Pr2Dy6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  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 [11.1021]
_cell_length_b [4.0056]
_cell_length_c [11.3840]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6847]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr(DyS2)3]
_chemical_formula_sum '[Pr2 Dy6 S12]'
_cell_volume [479.5688]
_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
[
  Pr  Pr0  2  0.0488  0.2500  0.6943  1
  Dy  Dy1  2  0.1611  0.2500  0.0867  1
  Dy  Dy2  2  0.3199  0.7500  0.4980  1
  Dy  Dy3  2  0.4407  0.2500  0.8324  1
  S  S4  2  0.0825  0.7500  0.9059  1
  S  S5  2  0.1182  0.2500  0.4632  1
  S  S6  2  0.1962  0.7500  0.2488  1
  S  S7  2  0.2644  0.7500  0.7275  1
  S  S8  2  0.3954  0.2500  0.0591  1
  S  S9  2  0.4779  0.2500  0.6113  1
]