data_NbZnGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   2.86
_cell_angle_alpha   104.92
_cell_angle_beta   104.92
_cell_angle_gamma   115.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbZnGa2
_chemical_formula_sum   'Nb1 Zn1 Ga2'
_cell_volume   66.8
_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  Nb2  1  0.9  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.76  0.29  0.26  1.0
  Ga  Ga1  1  0.76  0.71  0.26  1.0

data_NbZnGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   5.09
_cell_length_c   5.43
_cell_angle_alpha   117.71
_cell_angle_beta   104.92
_cell_angle_gamma   90.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbZnGa2
_chemical_formula_sum   'Nb1 Zn1 Ga2'
_cell_volume   66.8
_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  0.0  0.9  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.55  0.29  0.05  1.0
  Ga  Ga3  1  0.96  0.71  0.47  1.0

Nb Zn Ga Ga
Nb Zn Ga Ga 0 1 + o o 0 2 o o o 0 3 o - o 0 3 o - - 1 2 - o o 1 3 - - o 1 3 - - - 2 3 o o o 