data_[Pr24C8Se8]
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 [13.8449]
_cell_length_b [11.9462]
_cell_length_c [6.8258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2833]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr3CSe]
_chemical_formula_sum '[Pr24 C8 Se8]'
_cell_volume [1117.1589]
_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  0.1034  0.2370  0.1052  1.0
  Pr  Pr1  8  0.1053  0.0797  0.6143  1.0
  Pr  Pr2  8  0.1101  0.3989  0.6314  1.0
  Se  Se3  8  0.2454  0.4171  0.0101  1.0
  C  C4  4  0.0000  0.0775  0.2500  1.0
  C  C5  4  0.0000  0.2524  0.7500  1.0
]