data_VCoHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.06
_cell_length_b   9.06
_cell_length_c   9.06
_cell_angle_alpha   18.75
_cell_angle_beta   18.75
_cell_angle_gamma   18.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCoHg2
_chemical_formula_sum   'V1 Co1 Hg2'
_cell_volume   67.22
_cell_formula_units_Z   1
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  V3  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.0  0.0  0.35  1.0
  Hg  Hg1  1  0.0  0.0  0.12  1.0
  Hg  Hg2  1  0.0  0.0  0.58  1.0

data_VCoHg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.11
_cell_length_b   2.95
_cell_length_c   9.06
_cell_angle_alpha   90.0
_cell_angle_beta   100.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VCoHg2
_chemical_formula_sum   'V2 Co2 Hg4'
_cell_volume   134.43
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Co  Co1  2  -0.0  0.0  0.65  1.0
  Hg  Hg2  2  -0.0  0.0  0.88  1.0
  Hg  Hg3  2  -0.0  0.0  0.42  1.0

V Co Hg Hg