data_[Y4Th10C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Th  1.3000  1.8000  1.0800
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0350]
_cell_length_b [3.5867]
_cell_length_c [8.6044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.4283]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2Th5C4]
_chemical_formula_sum '[Y4 Th10 C8]'
_cell_volume [494.0143]
_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
[
  Y  Y0  4  0.1406  0.5000  0.4651  1
  Th  Th1  4  0.0650  0.0000  0.7311  1
  Th  Th2  4  0.2106  0.5000  0.1337  1
  Th  Th3  2  0.0000  0.5000  0.0000  1
  C  C4  4  0.0713  0.0000  0.2506  1
  C  C5  4  0.1834  0.5000  0.8072  1
]