data_HfNbZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81
_cell_length_b   6.76
_cell_length_c   2.91
_cell_angle_alpha   78.53
_cell_angle_beta   76.68
_cell_angle_gamma   24.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNbZn
_chemical_formula_sum   'Hf1 Nb1 Zn1'
_cell_volume   54.71
_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  0.98  0.14  0.88  1.0
  Nb  Nb1  1  0.98  0.14  0.71  1.0
  Zn  Zn2  1  0.98  0.14  0.27  1.0

data_HfNbZn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.96
_cell_length_b   12.93
_cell_length_c   2.91
_cell_angle_alpha   90.0
_cell_angle_beta   132.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfNbZn
_chemical_formula_sum   'Hf2 Nb2 Zn2'
_cell_volume   109.41
_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  0.48  0.5  0.86  1.0
  Nb  Nb1  2  0.48  0.5  0.69  1.0
  Zn  Zn2  2  0.48  0.5  0.25  1.0

Hf Nb Zn