data_HfGa2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.8
_cell_length_b   7.8
_cell_length_c   7.8
_cell_angle_alpha   23.13
_cell_angle_beta   23.13
_cell_angle_gamma   23.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGa2B
_chemical_formula_sum   'Hf1 Ga2 B1'
_cell_volume   64.38
_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  Hf3  1  0.0  0.0  0.39  1.0
  Ga  Ga1  1  0.0  0.0  0.19  1.0
  Ga  Ga2  1  0.0  0.0  0.58  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_HfGa2B
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.42
_cell_length_b   3.13
_cell_length_c   7.8
_cell_angle_alpha   90.0
_cell_angle_beta   103.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfGa2B
_chemical_formula_sum   'Hf2 Ga4 B2'
_cell_volume   128.76
_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  0.61  1.0
  Ga  Ga1  2  0.0  0.0  0.42  1.0
  Ga  Ga2  2  0.0  0.0  0.81  1.0
  B  B3  2  0.0  0.0  0.0  1.0

Hf Ga Ga B