data_HfGe2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   137.04
_cell_angle_beta   137.04
_cell_angle_gamma   62.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGe2B
_chemical_formula_sum   'Hf1 Ge2 B1'
_cell_volume   62.23
_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  0.88  0.2  1.0
  Ge  Ge1  1  0.88  0.0  0.2  1.0
  Ge  Ge2  1  0.0  0.0  0.4  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_HfGe2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   3.76
_cell_length_c   5.14
_cell_angle_alpha   111.48
_cell_angle_beta   111.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGe2B
_chemical_formula_sum   'Hf1 Ge2 B1'
_cell_volume   62.23
_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  0.32  0.2  0.32  1.0
  Ge  Ge1  1  0.2  0.32  0.32  1.0
  Ge  Ge2  1  0.4  0.4  0.4  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Hf Ge Ge B