data_[Pr8Y4Cu4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  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 [4.1052]
_cell_length_b [17.8260]
_cell_length_c [12.2190]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2YCuSe5]
_chemical_formula_sum '[Pr8 Y4 Cu4 Se20]'
_cell_volume [894.1729]
_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  0.1090  0.6866  1.0
  Pr  Pr1  4  0.0000  0.1223  0.3101  1.0
  Y  Y2  4  0.0000  0.1936  0.0107  1.0
  Cu  Cu3  4  0.0000  0.4359  0.4545  1.0
  Se  Se4  4  0.0000  0.0427  0.0602  1.0
  Se  Se5  4  0.0000  0.2880  0.6737  1.0
  Se  Se6  4  0.0000  0.3124  0.3468  1.0
  Se  Se7  4  0.0000  0.3565  0.0012  1.0
  Se  Se8  4  0.0000  0.4994  0.7801  1.0
]