data_VHgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   142.19
_cell_angle_beta   142.19
_cell_angle_gamma   54.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VHgSb
_chemical_formula_sum   'V1 Hg1 Sb1'
_cell_volume   64.41
_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  V2  1  0.0  0.0  0.08  1.0
  Hg  Hg0  1  0.0  0.0  0.86  1.0
  Sb  Sb1  1  0.0  0.0  0.85  1.0

data_VHgSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   117.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VHgSb
_chemical_formula_sum   'V2 Hg2 Sb2'
_cell_volume   128.81
_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  0.92  1.0
  Hg  Hg1  2  0.0  0.0  0.14  1.0
  Sb  Sb2  2  0.0  0.0  0.15  1.0

V Hg Sb
V Hg Sb 0 2 o o - 0 1 o o - 1 2 o o o 