data_[V4Co2Hg4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Co  1.8800  1.3500  0.7683
  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 [5.6336]
_cell_length_b [9.4540]
_cell_length_c [9.5037]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4576]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V2Co(HgS3)2]
_chemical_formula_sum '[V4 Co2 Hg4 S12]'
_cell_volume [487.8616]
_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  0.1893  0.5000  1.0
  Co  Co1  2  0.0000  0.5000  0.5000  1.0
  Hg  Hg2  4  0.0000  0.1702  0.0000  1.0
  S  S3  8  0.0980  0.3427  0.3399  1.0
  S  S4  4  0.1041  0.0000  0.3586  1.0
]