data_[Pr10Dy2Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Dy  1.2200  1.7500  1.1310
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [8.9185]
_cell_length_b [8.9185]
_cell_length_c [9.0514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Pr5DySe8]
_chemical_formula_sum '[Pr10 Dy2 Se16]'
_cell_volume [719.9446]
_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
[
  Pr  Pr0  8  0.1176  0.7492  0.1239  1.0
  Pr  Pr1  2  0.0000  0.0000  0.5000  1.0
  Dy  Dy2  2  0.0000  0.5000  0.7500  1.0
  Se  Se3  8  0.0719  0.8159  0.7978  1.0
  Se  Se4  8  0.0763  0.6752  0.4516  1.0
]