data_[Pr6Nd2Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.9436]
_cell_length_b [4.2807]
_cell_length_c [12.2784]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5181]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr3NdSe6]
_chemical_formula_sum '[Pr6 Nd2 Se12]'
_cell_volume [595.2617]
_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  0.1599  0.2500  0.0825  1
  Pr  Pr1  2  0.3176  0.7500  0.4966  1
  Pr  Pr2  2  0.4290  0.2500  0.8310  1
  Nd  Nd3  2  0.0434  0.2500  0.6894  1
  Se  Se4  2  0.0838  0.7500  0.8990  1
  Se  Se5  2  0.1104  0.2500  0.4633  1
  Se  Se6  2  0.1882  0.7500  0.2499  1
  Se  Se7  2  0.2498  0.7500  0.7212  1
  Se  Se8  2  0.4000  0.2500  0.0654  1
  Se  Se9  2  0.4807  0.2500  0.6145  1
]