data_[Pr2Nd2Cu2Se8]
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 [P2_1/m]
_cell_length_a [7.1503]
_cell_length_b [6.0046]
_cell_length_c [8.3846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0249]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrNdCuSe4]
_chemical_formula_sum '[Pr2 Nd2 Cu2 Se8]'
_cell_volume [344.2206]
_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  2  0.2610  0.7500  0.0665  1.0
  Nd  Nd1  2  0.2673  0.7500  0.5660  1.0
  Cu  Cu2  2  0.2605  0.2500  0.3150  1.0
  Se  Se3  4  0.0120  0.0085  0.7521  1.0
  Se  Se4  2  0.4245  0.2500  0.6088  1.0
  Se  Se5  2  0.4264  0.2500  0.1045  1.0
]