data_VReHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.3
_cell_length_b   7.08
_cell_length_c   2.83
_cell_angle_alpha   83.04
_cell_angle_beta   74.34
_cell_angle_gamma   22.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VReHg
_chemical_formula_sum   'V1 Re1 Hg1'
_cell_volume   50.78
_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  0.56  0.36  0.41  1.0
  Re  Re1  1  0.56  0.36  0.46  1.0
  Hg  Hg0  1  0.56  0.36  0.75  1.0

data_VReHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.11
_cell_length_b   13.81
_cell_length_c   2.83
_cell_angle_alpha   90.0
_cell_angle_beta   123.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VReHg
_chemical_formula_sum   'V2 Re2 Hg2'
_cell_volume   101.55
_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  0.17  0.5  0.03  1.0
  Re  Re1  2  0.12  0.5  0.98  1.0
  Hg  Hg2  2  0.33  0.0  0.69  1.0

V Re Hg
V Re Hg 0 1 o o o 0 2 o o o 1 2 o o o 