data_[Dy12P4C2S6]
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
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0213]
_cell_length_b [3.8711]
_cell_length_c [7.8690]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4976]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Dy6P2CS3]
_chemical_formula_sum '[Dy12 P4 C2 S6]'
_cell_volume [504.1744]
_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  0.0003  0.0000  0.2182  1.0
  Dy  Dy1  4  0.1524  0.5000  0.0787  1.0
  Dy  Dy2  4  0.1664  0.5000  0.5796  1.0
  P  P3  4  0.1662  0.0000  0.3320  1.0
  C  C4  2  0.0000  0.5000  0.0000  1.0
  S  S5  4  0.1685  0.0000  0.8350  1.0
  S  S6  2  0.0000  0.5000  0.5000  1.0
]