data_[Y8V16C12S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  V  1.6300  1.3500  0.7775
  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 [9.8408]
_cell_length_b [5.6908]
_cell_length_c [12.0693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2809]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y2V4(CS)3]
_chemical_formula_sum '[Y8 V16 C12 S12]'
_cell_volume [655.0283]
_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  0.0436  0.4223  0.8855  1
  V  V1  8  0.1102  0.0922  0.0849  1
  V  V2  8  0.2253  0.0708  0.4155  1
  C  C3  8  0.0925  0.2252  0.5010  1
  C  C4  4  0.2500  0.2500  0.0000  1
  S  S5  8  0.1875  0.3881  0.2435  1
  S  S6  4  0.0000  0.0431  0.7500  1
]