data_[Dy2P2Se2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5034]
_cell_length_b [6.5975]
_cell_length_c [7.7593]
_cell_angle_alpha [88.0802]
_cell_angle_beta [86.9944]
_cell_angle_gamma [82.5058]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [DyPSeS3]
_chemical_formula_sum '[Dy2 P2 Se2 S6]'
_cell_volume [329.5049]
_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  0.2053  0.7087  0.0549  1
  P  P1  2  0.3034  0.2568  0.8163  1
  Se  Se2  2  0.4204  0.7663  0.3560  1
  S  S3  2  0.0891  0.5102  0.7651  1
  S  S4  2  0.1257  0.0207  0.7940  1
  S  S5  2  0.3821  0.2784  0.0703  1
]