data_[V4Si4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.5873]
_cell_length_b [3.1154]
_cell_length_c [12.3020]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [VSiS]
_chemical_formula_sum '[V4 Si4 S4]'
_cell_volume [175.8080]
_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  2  0.0000  0.0000  0.3015  1
  V  V1  2  0.5000  0.0000  0.9017  1
  Si  Si2  2  0.0000  0.0000  0.6280  1
  Si  Si3  2  0.0000  0.0000  0.9646  1
  S  S4  2  0.5000  0.0000  0.2635  1
  S  S5  2  0.5000  0.0000  0.5489  1
]