data_[La12Pr4C32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [8.0054]
_cell_length_b [9.7012]
_cell_length_c [10.7987]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [La3PrC8]
_chemical_formula_sum '[La12 Pr4 C32]'
_cell_volume [838.6464]
_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
[
  La  La0  8  0.2500  0.2500  0.2500  1
  La  La1  4  0.0000  0.0000  0.5000  1
  Pr  Pr2  4  0.0000  0.0000  0.0000  1
  C  C3  16  0.0000  0.0668  0.2493  1
  C  C4  16  0.2476  0.1831  0.0000  1
]