data_[V8Zn4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Zn  1.6500  1.3500  0.8800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [7.1753]
_cell_length_b [9.7901]
_cell_length_c [7.2192]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [V2ZnS4]
_chemical_formula_sum '[V8 Zn4 S16]'
_cell_volume [507.1238]
_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
[
  V  V0  4  0.0000  0.0000  0.4882  1.0
  V  V1  4  0.2500  0.2256  0.2722  1.0
  Zn  Zn2  4  0.2500  0.6256  0.4730  1.0
  S  S3  8  0.0225  0.2464  0.5151  1.0
  S  S4  4  0.2500  0.0190  0.7213  1.0
  S  S5  4  0.2500  0.5138  0.7654  1.0
]