data_[V4Hg4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Hg  2.0000  1.5000  1.2450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.0463]
_cell_length_b [3.1206]
_cell_length_c [9.2733]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.1417]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [VHgS]
_chemical_formula_sum '[V4 Hg4 S4]'
_cell_volume [232.2407]
_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  0.0359  0.0000  0.9625  1
  V  V1  2  0.3126  0.0000  0.7730  1
  Hg  Hg2  2  0.0887  0.0000  0.2798  1
  Hg  Hg3  2  0.3395  0.5000  0.5096  1
  S  S4  2  0.0968  0.5000  0.7803  1
  S  S5  2  0.3366  0.0000  0.0234  1
]