data_V2GeB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.6
_cell_length_b   3.6
_cell_length_c   3.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2GeB
_chemical_formula_sum   'V2 Ge1 B1'
_cell_volume   47.46
_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  0.8  0.0  0.83  1.0
  V  V3  1  0.0  0.8  0.83  1.0
  Ge  Ge1  1  0.8  0.8  0.0  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_V2GeB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   3.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   V2GeB
_chemical_formula_sum   'V4 Ge2 B2'
_cell_volume   94.91
_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  4  0.4  0.4  0.83  1.0
  Ge  Ge1  2  0.3  0.5  0.0  1.0
  B  B2  2  0.0  0.0  0.0  1.0

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