data_HfGe2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   139.94
_cell_angle_beta   139.94
_cell_angle_gamma   57.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGe2B
_chemical_formula_sum   'Hf1 Ge2 B1'
_cell_volume   61.22
_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  0.64  1.0
  Ge  Ge1  1  0.82  0.0  0.32  1.0
  Ge  Ge2  1  0.0  0.82  0.32  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_HfGe2B
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   118.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfGe2B
_chemical_formula_sum   'Hf2 Ge4 B2'
_cell_volume   122.44
_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  0.14  0.5  0.64  1.0
  Ge  Ge1  4  0.41  0.09  0.5  1.0
  B  B2  2  0.0  0.0  0.0  1.0

Hf Ge Ge B