data_[Dy4Sc2Mn2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Sc  1.3600  1.6000  0.8850
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.2841]
_cell_length_b [7.0537]
_cell_length_c [11.0601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0882]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Dy2ScMnS6]
_chemical_formula_sum '[Dy4 Sc2 Mn2 S12]'
_cell_volume [406.0126]
_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
[
  Dy  Dy0  4  0.2046  0.1096  0.2475  1.0
  Sc  Sc1  2  0.5000  0.0000  0.0000  1.0
  Mn  Mn2  2  0.0000  0.0000  0.5000  1.0
  S  S3  4  0.1051  0.1792  0.9329  1.0
  S  S4  4  0.2555  0.6734  0.9391  1.0
  S  S5  4  0.3768  0.0378  0.7383  1.0
]