data_[Dy10P2Se8]
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 [I4/mmm]
_cell_length_a [4.0478]
_cell_length_b [4.0478]
_cell_length_c [29.0348]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Dy5PSe4]
_chemical_formula_sum '[Dy10 P2 Se8]'
_cell_volume [475.7193]
_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  0.0000  0.0000  0.0930  1.0
  Dy  Dy1  4  0.0000  0.0000  0.2952  1.0
  Dy  Dy2  2  0.0000  0.0000  0.5000  1.0
  P  P3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  4  0.0000  0.0000  0.1959  1.0
  Se  Se5  4  0.0000  0.0000  0.3979  1.0
]