data_[Nd4Dy6Sc2S12]
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
  Sc  1.3600  1.6000  0.8850
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1275]
_cell_length_b [3.9222]
_cell_length_c [7.9030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5683]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Dy3ScS6]
_chemical_formula_sum '[Nd4 Dy6 Sc2 S12]'
_cell_volume [516.0914]
_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  4  0.1667  0.0000  0.3341  1.0
  Dy  Dy1  4  0.1697  0.0000  0.8342  1.0
  Dy  Dy2  2  0.0000  0.5000  0.5000  1.0
  Sc  Sc3  2  0.0000  0.5000  0.0000  1.0
  S  S4  4  0.0047  0.0000  0.7627  1.0
  S  S5  4  0.1613  0.5000  0.0704  1.0
  S  S6  4  0.1630  0.5000  0.5918  1.0
]