data_V2FeB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   37.69
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2FeB
_chemical_formula_sum   'V2 Fe1 B1'
_cell_volume   43.27
_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  0.89  1.0
  V  V3  1  0.66  0.0  0.29  1.0
  Fe  Fe1  1  0.66  0.0  0.81  1.0
  B  B0  1  0.0  0.0  0.46  1.0

data_V2FeB
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   3.32
_cell_length_c   4.61
_cell_angle_alpha   90.0
_cell_angle_beta   108.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2FeB
_chemical_formula_sum   'V2 Fe1 B1'
_cell_volume   43.27
_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  0.11  0.0  0.11  1.0
  V  V1  1  0.71  0.66  0.71  1.0
  Fe  Fe2  1  0.19  0.66  0.19  1.0
  B  B3  1  0.54  0.0  0.54  1.0

V V Fe B