data_[Dy2Sc2S6]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.4331]
_cell_length_b [3.7746]
_cell_length_c [7.6398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8690]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [DyScS3]
_chemical_formula_sum '[Dy2 Sc2 S6]'
_cell_volume [213.2279]
_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  2  0.3746  0.7500  0.2271  1
  Sc  Sc1  2  0.1492  0.2500  0.6725  1
  S  S2  2  0.0943  0.2500  0.3230  1
  S  S3  2  0.3086  0.2500  0.9714  1
  S  S4  2  0.3747  0.7500  0.6108  1
]