data_[Dy12P4S8]
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 [C2/c]
_cell_length_a [6.8297]
_cell_length_b [11.8137]
_cell_length_c [6.8395]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5397]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Dy3PS2]
_chemical_formula_sum '[Dy12 P4 S8]'
_cell_volume [520.0598]
_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  0.2425  0.4194  0.5010  1
  Dy  Dy1  4  0.2500  0.2500  0.0000  1
  P  P2  4  0.0000  0.4154  0.7500  1
  S  S3  4  0.0000  0.0833  0.7500  1
  S  S4  4  0.0000  0.2492  0.2500  1
]