data_[Dy2As2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6416]
_cell_length_b [6.7568]
_cell_length_c [7.8112]
_cell_angle_alpha [87.8143]
_cell_angle_beta [87.5363]
_cell_angle_gamma [80.7013]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [DyAsS4]
_chemical_formula_sum '[Dy2 As2 S8]'
_cell_volume [345.4355]
_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  0.2034  0.7033  0.0593  1.0
  As  As1  2  0.3137  0.2562  0.8184  1.0
  S  S2  2  0.0781  0.5201  0.7683  1.0
  S  S3  2  0.1235  0.0184  0.8004  1.0
  S  S4  2  0.3993  0.2856  0.0856  1.0
  S  S5  2  0.4124  0.7695  0.3413  1.0
]