data_[V4Cr2Hg4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Cr  1.6600  1.4000  0.9400
  Hg  2.0000  1.5000  1.2450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.4297]
_cell_length_b [9.3967]
_cell_length_c [9.5669]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0827]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V2Cr(HgS3)2]
_chemical_formula_sum '[V4 Cr2 Hg4 S12]'
_cell_volume [477.2984]
_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  0.0000  0.3330  0.5000  1.0
  Cr  Cr1  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg2  4  0.0000  0.1674  0.0000  1.0
  S  S3  8  0.2235  0.1651  0.6585  1.0
  S  S4  4  0.2288  0.5000  0.6582  1.0
]