data_[Pr8Ru6C10]
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 [11.9947]
_cell_length_b [3.9747]
_cell_length_c [9.9130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4916]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr4Ru3C5]
_chemical_formula_sum '[Pr8 Ru6 C10]'
_cell_volume [430.0790]
_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  0.1039  0.0000  0.9014  1.0
  Pr  Pr1  4  0.2412  0.5000  0.6659  1.0
  Ru  Ru2  4  0.0478  0.5000  0.3282  1.0
  Ru  Ru3  2  0.0000  0.0000  0.5000  1.0
  C  C4  4  0.1126  0.5000  0.1748  1.0
  C  C5  4  0.1922  0.5000  0.1117  1.0
  C  C6  2  0.0000  0.5000  0.5000  1.0
]