data_[Dy12P4S24]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.5020]
_cell_length_b [12.9840]
_cell_length_c [7.0084]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Dy3PS6]
_chemical_formula_sum '[Dy12 P4 S24]'
_cell_volume [955.6575]
_cell_formula_units_Z [4]
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  8  0.1869  0.1014  0.5276  1
  Dy  Dy1  4  0.0000  0.3990  0.5930  1
  P  P2  4  0.0000  0.1846  0.9400  1
  S  S3  8  0.1604  0.2588  0.8089  1
  S  S4  8  0.1631  0.4777  0.3108  1
  S  S5  4  0.0000  0.0327  0.7965  1
  S  S6  4  0.0000  0.2194  0.3904  1
]