data_[Y2Th10C8]
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 [16.1029]
_cell_length_b [3.6783]
_cell_length_c [7.5175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7039]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YTh5C4]
_chemical_formula_sum '[Y2 Th10 C8]'
_cell_volume [434.3725]
_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  2  0.0000  0.5000  0.0000  1
  Th  Th1  4  0.1588  0.0000  0.3082  1
  Th  Th2  4  0.1624  0.0000  0.8424  1
  Th  Th3  2  0.0000  0.5000  0.5000  1
  C  C4  4  0.0031  0.0000  0.2539  1
  C  C5  4  0.1673  0.5000  0.0812  1
]