data_[Pr8Mn16Se32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mn  1.5500  1.4000  0.6483
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [12.3763]
_cell_length_b [14.0659]
_cell_length_c [8.0775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Pr(MnSe2)2]
_chemical_formula_sum '[Pr8 Mn16 Se32]'
_cell_volume [1406.1714]
_cell_formula_units_Z [8]
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  8  0.0000  0.0000  0.0208  1
  Mn  Mn1  16  0.1097  0.0922  0.6201  1
  Se  Se2  16  0.0582  0.1256  0.3226  1
  Se  Se3  16  0.0976  0.4094  0.1712  1
]