data_ScVHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.87
_cell_length_b   6.84
_cell_length_c   2.95
_cell_angle_alpha   78.06
_cell_angle_beta   77.07
_cell_angle_gamma   24.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScVHg
_chemical_formula_sum   'Sc1 V1 Hg1'
_cell_volume   56.89
_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  Sc1  1  0.04  0.13  0.83  1.0
  V  V2  1  0.04  0.13  0.33  1.0
  Hg  Hg0  1  0.04  0.13  0.97  1.0

data_ScVHg
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   2.95
_cell_length_b   13.06
_cell_length_c   2.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   ScVHg
_chemical_formula_sum   'Sc2 V2 Hg2'
_cell_volume   113.88
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  0.5  0.87  1.0
  V  V1  2  0.0  0.5  0.37  1.0
  Hg  Hg2  2  0.0  0.5  0.01  1.0

Sc V Hg