data_[Th24Sb4C16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Sb  2.0500  1.4500  0.8300
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8990]
_cell_length_b [12.6405]
_cell_length_c [20.0853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Th6SbC4]
_chemical_formula_sum '[Th24 Sb4 C16]'
_cell_volume [989.9160]
_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  8  0.0000  0.0417  0.1457  1
  Th  Th1  8  0.0000  0.2244  0.5777  1
  Th  Th2  4  0.0000  0.3641  0.2500  1
  Th  Th3  4  0.0000  0.5000  0.0000  1
  Sb  Sb4  4  0.0000  0.3344  0.7500  1
  C  C5  8  0.0000  0.1426  0.0381  1
  C  C6  8  0.0000  0.4156  0.1250  1
]