data_[Th4Np8Ru4C16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Np  1.3600  1.7500  1.0000
  Ru  2.2000  1.3000  0.6610
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.5811]
_cell_length_b [11.6231]
_cell_length_c [11.5317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [ThNp2RuC4]
_chemical_formula_sum '[Th4 Np8 Ru4 C16]'
_cell_volume [479.9937]
_cell_formula_units_Z [4]
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
[
  Th  Th0  4  0.0000  0.1110  0.7500  1
  Np  Np1  8  0.0000  0.3722  0.5457  1
  Ru  Ru2  4  0.0000  0.1488  0.2500  1
  C  C3  8  0.0000  0.2610  0.1178  1
  C  C4  4  0.0000  0.0000  0.0000  1
  C  C5  4  0.0000  0.4460  0.7500  1
]