data_[Nd4Sc2Cr2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sc  1.3600  1.6000  0.8850
  Cr  1.6600  1.4000  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3946]
_cell_length_b [7.0324]
_cell_length_c [11.2599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.5610]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd2ScCrS6]
_chemical_formula_sum '[Nd4 Sc2 Cr2 S12]'
_cell_volume [421.9406]
_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  0.2097  0.0990  0.2478  1.0
  Sc  Sc1  2  0.5000  0.0000  0.0000  1.0
  Cr  Cr2  2  0.0000  0.0000  0.5000  1.0
  S  S3  4  0.1166  0.1959  0.9443  1.0
  S  S4  4  0.2580  0.6823  0.9451  1.0
  S  S5  4  0.3575  0.0254  0.7410  1.0
]