data_VBMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   136.33
_cell_angle_beta   136.33
_cell_angle_gamma   63.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VBMo2
_chemical_formula_sum   'V1 B1 Mo2'
_cell_volume   52.85
_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  0.1  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.79  0.0  0.05  1.0
  Mo  Mo2  1  0.0  0.79  0.05  1.0

data_VBMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   4.82
_cell_angle_alpha   90.0
_cell_angle_beta   121.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VBMo2
_chemical_formula_sum   'V2 B2 Mo4'
_cell_volume   105.7
_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  0.4  0.5  0.9  1.0
  B  B1  2  0.0  0.0  0.0  1.0
  Mo  Mo2  4  0.35  0.4  0.74  1.0

V B Mo Mo
V B Mo Mo 0 1 o o o 0 2 - o o 0 3 o - o 