data_[Y8Nb16C12S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Nb  1.6000  1.4500  0.8200
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.2435]
_cell_length_b [5.9400]
_cell_length_c [12.5202]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5388]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y2Nb4(CS)3]
_chemical_formula_sum '[Y8 Nb16 C12 S12]'
_cell_volume [733.9590]
_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
[
  Y  Y0  8  0.0431  0.4200  0.3884  1
  Nb  Nb1  8  0.1145  0.0896  0.5904  1
  Nb  Nb2  8  0.2227  0.0773  0.9095  1
  C  C3  8  0.0879  0.2368  1.0000  1
  C  C4  4  0.2500  0.2500  0.5000  1
  S  S5  8  0.1819  0.4009  0.7506  1
  S  S6  4  0.0000  0.0556  0.2500  1
]