data_VHg2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   3.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VHg2Ge
_chemical_formula_sum   'V1 Hg2 Ge1'
_cell_volume   79.55
_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
  Hg  Hg1  1  0.39  0.16  0.66  1.0
  Hg  Hg2  1  0.39  0.84  0.66  1.0
  Ge  Ge0  1  0.78  0.0  0.0  1.0

data_VHg2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   114.38
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VHg2Ge
_chemical_formula_sum   'V1 Hg2 Ge1'
_cell_volume   79.55
_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  V0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.66  0.39  0.84  1.0
  Hg  Hg2  1  0.66  0.39  0.16  1.0
  Ge  Ge3  1  0.0  0.78  0.0  1.0

V Hg Hg Ge
V Hg Hg Ge 0 3 - o o 1 2 o - o 