data_[Nd8Ru6C10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  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 [11.9469]
_cell_length_b [3.9533]
_cell_length_c [9.8471]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9183]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd4Ru3C5]
_chemical_formula_sum '[Nd8 Ru6 C10]'
_cell_volume [421.7850]
_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
[
  Nd  Nd0  4  0.1041  0.0000  0.9022  1.0
  Nd  Nd1  4  0.2408  0.5000  0.6665  1.0
  Ru  Ru2  4  0.0486  0.5000  0.3278  1.0
  Ru  Ru3  2  0.0000  0.0000  0.5000  1.0
  C  C4  4  0.1133  0.5000  0.1740  1.0
  C  C5  4  0.1937  0.5000  0.1113  1.0
  C  C6  2  0.0000  0.5000  0.5000  1.0
]