data_[Th8P2C6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  P  2.1900  1.0000  0.5500
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.8066]
_cell_length_b [11.0169]
_cell_length_c [3.8773]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Th4PC3]
_chemical_formula_sum '[Th8 P2 C6]'
_cell_volume [333.4683]
_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
[
  Th  Th0  4  0.0000  0.2584  0.0000  1
  Th  Th1  4  0.2324  0.5000  0.5000  1
  P  P2  2  0.0000  0.0000  0.0000  1
  C  C3  4  0.2500  0.2500  0.5000  1
  C  C4  2  0.0000  0.5000  0.0000  1
]