data_[Pr12Pd4C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Pd  2.2000  1.4000  0.8462
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7513]
_cell_length_b [7.4408]
_cell_length_c [12.1149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.7239]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr6Pd2C]
_chemical_formula_sum '[Pr12 Pd4 C2]'
_cell_volume [512.0037]
_cell_formula_units_Z [2]
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  0.1271  0.6732  0.9405  1
  Pr  Pr1  4  0.2716  0.1931  0.9419  1
  Pr  Pr2  4  0.3853  0.5347  0.7615  1
  Pd  Pd3  4  0.1957  0.5998  0.2488  1
  C  C4  2  0.5000  0.0000  0.5000  1
]