data_HfV2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.35
_cell_length_b   7.35
_cell_length_c   7.35
_cell_angle_alpha   23.9
_cell_angle_beta   23.9
_cell_angle_gamma   23.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfV2B
_chemical_formula_sum   'Hf1 V2 B1'
_cell_volume   57.24
_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  0.0  0.0  0.7  1.0
  V  V2  1  0.0  0.0  0.95  1.0
  V  V3  1  0.0  0.0  0.46  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_HfV2B
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.27
_cell_length_b   3.04
_cell_length_c   7.35
_cell_angle_alpha   90.0
_cell_angle_beta   103.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfV2B
_chemical_formula_sum   'Hf2 V4 B2'
_cell_volume   114.48
_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
  Hf  Hf0  2  0.0  0.0  0.3  1.0
  V  V1  2  0.0  0.0  0.05  1.0
  V  V2  2  0.0  0.0  0.54  1.0
  B  B3  2  0.0  0.0  0.0  1.0

Hf V V B
Hf V V B 0 2 o o o 0 1 o o o 1 3 o o + 