data_NbAlZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   149.69
_cell_angle_beta   140.73
_cell_angle_gamma   50.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAlZn
_chemical_formula_sum   'Nb1 Al1 Zn1'
_cell_volume   48.16
_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
  Nb  Nb1  1  0.0  0.0  0.42  1.0
  Al  Al0  1  0.0  0.0  0.56  1.0
  Zn  Zn2  1  0.0  0.0  0.32  1.0

data_NbAlZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   3.58
_cell_length_c   5.33
_cell_angle_alpha   109.64
_cell_angle_beta   105.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAlZn
_chemical_formula_sum   'Nb1 Al1 Zn1'
_cell_volume   48.16
_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
  Nb  Nb0  1  0.0  0.42  0.42  1.0
  Al  Al1  1  0.0  0.56  0.56  1.0
  Zn  Zn2  1  0.0  0.32  0.32  1.0

Nb Al Zn
Nb Al Zn 0 2 o o o 0 1 o o o 