data_[Pr4Dy8Cu4Se20]
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
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9838]
_cell_length_b [19.3261]
_cell_length_c [11.5961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [PrDy2CuSe5]
_chemical_formula_sum '[Pr4 Dy8 Cu4 Se20]'
_cell_volume [892.7926]
_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
[
  Pr  Pr0  4  0.0000  0.1940  0.0093  1.0
  Dy  Dy1  4  0.0000  0.0891  0.6827  1.0
  Dy  Dy2  4  0.0000  0.1092  0.3093  1.0
  Cu  Cu3  4  0.0000  0.4310  0.4508  1.0
  Se  Se4  4  0.0000  0.0462  0.0626  1.0
  Se  Se5  4  0.0000  0.3030  0.6985  1.0
  Se  Se6  4  0.0000  0.3295  0.3237  1.0
  Se  Se7  4  0.0000  0.3601  0.0050  1.0
  Se  Se8  4  0.0000  0.4964  0.7820  1.0
]