data_[Dy12P6Se2S4]
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 [C2/m]
_cell_length_a [17.4351]
_cell_length_b [3.9818]
_cell_length_c [7.9986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7752]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Dy6P3SeS2]
_chemical_formula_sum '[Dy12 P6 Se2 S4]'
_cell_volume [539.3169]
_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  0.0017  0.0000  0.7370  1.0
  Dy  Dy1  4  0.1647  0.5000  0.5879  1.0
  Dy  Dy2  4  0.1719  0.5000  0.0794  1.0
  P  P3  4  0.1657  0.0000  0.8323  1.0
  P  P4  2  0.0000  0.5000  0.5000  1.0
  Se  Se5  2  0.0000  0.5000  0.0000  1.0
  S  S6  4  0.1672  0.0000  0.3334  1.0
]