data_ScVHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.69
_cell_length_b   9.69
_cell_length_c   9.69
_cell_angle_alpha   18.78
_cell_angle_beta   18.78
_cell_angle_gamma   18.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScVHg2
_chemical_formula_sum   'Sc1 V1 Hg2'
_cell_volume   82.33
_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
  Sc  Sc2  1  0.0  0.0  0.44  1.0
  V  V3  1  0.0  0.0  0.09  1.0
  Hg  Hg0  1  0.0  0.0  0.34  1.0
  Hg  Hg1  1  0.0  0.0  0.47  1.0

data_ScVHg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.48
_cell_length_b   3.16
_cell_length_c   9.69
_cell_angle_alpha   90.0
_cell_angle_beta   100.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScVHg2
_chemical_formula_sum   'Sc2 V2 Hg4'
_cell_volume   164.66
_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
  Sc  Sc0  2  0.0  0.0  0.56  1.0
  V  V1  2  0.0  0.0  0.91  1.0
  Hg  Hg2  2  0.0  0.0  0.53  1.0
  Hg  Hg3  2  0.0  0.0  0.66  1.0

Sc V Hg Hg
Sc V Hg Hg 0 3 o o o 0 1 o o o 0 2 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 2 o o o 