data_[Pr8Nd4Mn4Se20]
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
  Mn  1.5500  1.4000  0.6483
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1207]
_cell_length_b [17.7189]
_cell_length_c [12.6741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2NdMnSe5]
_chemical_formula_sum '[Pr8 Nd4 Mn4 Se20]'
_cell_volume [925.3867]
_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  0.3805  0.8469  1.0
  Pr  Pr1  4  0.0000  0.3805  0.1924  1.0
  Nd  Nd2  4  0.0000  0.3207  0.5273  1.0
  Mn  Mn3  4  0.0000  0.0503  0.9227  1.0
  Se  Se4  4  0.0000  0.0071  0.2487  1.0
  Se  Se5  4  0.0000  0.1551  0.5184  1.0
  Se  Se6  4  0.0000  0.1853  0.8555  1.0
  Se  Se7  4  0.0000  0.1989  0.1946  1.0
  Se  Se8  4  0.0000  0.4886  0.5174  1.0
]