data_[Ce2Th4Ru2C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Th  1.3000  1.8000  1.0800
  Ru  2.2000  1.3000  0.6610
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [5.9496]
_cell_length_b [11.0023]
_cell_length_c [3.7633]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [CeTh2RuC2]
_chemical_formula_sum '[Ce2 Th4 Ru2 C4]'
_cell_volume [246.3384]
_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
[
  Ce  Ce0  2  0.0000  0.5000  0.0000  1
  Th  Th1  4  0.0354  0.2002  0.5000  1
  Ru  Ru2  2  0.0000  0.0000  0.0000  1
  C  C3  4  0.2098  0.6158  0.5000  1
]