data_[U16V2S34]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  V  1.6300  1.3500  0.7775
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1437]
_cell_length_b [8.3083]
_cell_length_c [10.3022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0394]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [U8VS17]
_chemical_formula_sum '[U16 V2 S34]'
_cell_volume [1104.1903]
_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
[
  U  U0  8  0.0596  0.2413  0.7018  1
  U  U1  4  0.1822  0.5000  0.0180  1
  U  U2  4  0.2046  0.0000  0.4565  1
  V  V3  2  0.0000  0.0000  0.0000  1
  S  S4  8  0.1265  0.3066  0.4643  1
  S  S5  8  0.1326  0.1900  0.9708  1
  S  S6  4  0.0219  0.5000  0.1691  1
  S  S7  4  0.0607  0.0000  0.2278  1
  S  S8  4  0.1983  0.5000  0.7560  1
  S  S9  4  0.2126  0.0000  0.7217  1
  S  S10  2  0.0000  0.0000  0.5000  1
]