data_[Th4Cr4Mo8C16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Cr  1.6600  1.4000  0.9400
  Mo  2.1600  1.4500  0.7750
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.2943]
_cell_length_b [11.1176]
_cell_length_c [10.5777]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [ThCr(MoC2)2]
_chemical_formula_sum '[Th4 Cr4 Mo8 C16]'
_cell_volume [387.3992]
_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  0.1007  0.7500  1
  Cr  Cr1  4  0.0000  0.1638  0.2500  1
  Mo  Mo2  8  0.0000  0.3779  0.5406  1
  C  C3  8  0.0000  0.2650  0.1120  1
  C  C4  4  0.0000  0.0000  0.0000  1
  C  C5  4  0.0000  0.4256  0.7500  1
]