data_V2GeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   4.72
_cell_angle_alpha   132.43
_cell_angle_beta   132.43
_cell_angle_gamma   69.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2GeRu
_chemical_formula_sum   'V2 Ge1 Ru1'
_cell_volume   56.07
_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  0.0  1.0
  V  V3  1  0.9  0.0  0.94  1.0
  Ge  Ge0  1  0.0  0.0  0.87  1.0
  Ru  Ru1  1  0.0  0.9  0.94  1.0

data_V2GeRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   3.8
_cell_length_c   4.72
_cell_angle_alpha   113.78
_cell_angle_beta   113.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2GeRu
_chemical_formula_sum   'V2 Ge1 Ru1'
_cell_volume   56.07
_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
  V  V1  1  0.06  0.0  0.96  1.0
  Ge  Ge2  1  0.13  0.0  0.13  1.0
  Ru  Ru3  1  0.96  0.9  0.96  1.0

V V Ge Ru
V V Ge Ru 0 1 - o - 0 3 o - - 0 2 o o - 1 2 + o o 2 3 o - o 