data_[Nd2Dy6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  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 [11.0890]
_cell_length_b [3.9948]
_cell_length_c [11.3670]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6709]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd(DyS2)3]
_chemical_formula_sum '[Nd2 Dy6 S12]'
_cell_volume [477.0390]
_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
[
  Nd  Nd0  2  0.0479  0.7500  0.6936  1.0
  Dy  Dy1  2  0.1610  0.7500  0.0862  1.0
  Dy  Dy2  2  0.3194  0.2500  0.4977  1.0
  Dy  Dy3  2  0.4390  0.7500  0.8322  1.0
  S  S4  2  0.0824  0.2500  0.9050  1.0
  S  S5  2  0.1168  0.7500  0.4631  1.0
  S  S6  2  0.1953  0.2500  0.2489  1.0
  S  S7  2  0.2623  0.2500  0.7267  1.0
  S  S8  2  0.3961  0.7500  0.0601  1.0
  S  S9  2  0.4777  0.7500  0.6115  1.0
]