data_[Pr4Ru4C6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ru  2.2000  1.3000  0.6610
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8111]
_cell_length_b [3.5443]
_cell_length_c [5.8256]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.4560]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Ru2C3]
_chemical_formula_sum '[Pr4 Ru4 C6]'
_cell_volume [218.3297]
_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  0.1051  0.5000  0.8146  1
  Ru  Ru1  4  0.1618  0.0000  0.3204  1
  C  C2  4  0.2460  0.5000  0.2814  1
  C  C3  2  0.0000  0.0000  0.0000  1
]