data_[Dy2P2Se8]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7358]
_cell_length_b [6.9526]
_cell_length_c [8.0581]
_cell_angle_alpha [88.0045]
_cell_angle_beta [87.2182]
_cell_angle_gamma [82.7153]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [DyPSe4]
_chemical_formula_sum '[Dy2 P2 Se8]'
_cell_volume [373.7316]
_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  0.2039  0.7082  0.0554  1.0
  P  P1  2  0.3092  0.2568  0.8166  1.0
  Se  Se2  2  0.0842  0.5153  0.7597  1.0
  Se  Se3  2  0.1214  0.0157  0.7862  1.0
  Se  Se4  2  0.3837  0.2788  0.0836  1.0
  Se  Se5  2  0.4185  0.7648  0.3438  1.0
]