data_HfV2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.26
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   99.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfV2B
_chemical_formula_sum   'Hf1 V2 B1'
_cell_volume   54.9
_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
  Hf  Hf1  1  0.56  0.0  0.59  1.0
  V  V2  1  0.32  0.63  0.23  1.0
  V  V3  1  0.06  0.63  0.94  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_HfV2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   3.26
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   99.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfV2B
_chemical_formula_sum   'Hf1 V2 B1'
_cell_volume   54.9
_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
  Hf  Hf0  1  0.56  0.0  0.59  1.0
  V  V1  1  0.06  0.63  0.94  1.0
  V  V2  1  0.32  0.63  0.23  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Hf V V B