data_[V8H2S10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3279]
_cell_length_b [3.0806]
_cell_length_c [6.6499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2555]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V4HS5]
_chemical_formula_sum '[V8 H2 S10]'
_cell_volume [285.6947]
_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
[
  V  V0  4  0.0025  0.0000  0.7747  1
  V  V1  4  0.1399  0.5000  0.0737  1
  H  H2  2  0.0000  0.5000  0.0000  1
  S  S3  4  0.1619  0.0000  0.3375  1
  S  S4  4  0.1732  0.0000  0.8371  1
  S  S5  2  0.0000  0.5000  0.5000  1
]