data_[Pr12C4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  C  2.5500  0.7000  0.3000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.3689]
_cell_length_b [5.9192]
_cell_length_c [7.9861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3390]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr3CSe2]
_chemical_formula_sum '[Pr12 C4 Se8]'
_cell_volume [603.2469]
_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  8  0.1382  0.0006  0.0694  1
  Pr  Pr1  4  0.0000  0.4736  0.7500  1
  Se  Se2  8  0.1744  0.4997  0.5873  1
  C  C3  4  0.0000  0.0322  0.7500  1
]