data_[Pr8Nd4Cu4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  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 [4.1279]
_cell_length_b [18.1215]
_cell_length_c [12.2477]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2NdCuSe5]
_chemical_formula_sum '[Pr8 Nd4 Cu4 Se20]'
_cell_volume [916.1797]
_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  0.1074  0.6848  1.0
  Pr  Pr1  4  0.0000  0.1188  0.3110  1.0
  Nd  Nd2  4  0.0000  0.1940  0.0103  1.0
  Cu  Cu3  4  0.0000  0.4371  0.4539  1.0
  Se  Se4  4  0.0000  0.0410  0.0598  1.0
  Se  Se5  4  0.0000  0.2898  0.6812  1.0
  Se  Se6  4  0.0000  0.3179  0.3421  1.0
  Se  Se7  4  0.0000  0.3591  0.0014  1.0
  Se  Se8  4  0.0000  0.4994  0.7794  1.0
]