data_NbZn2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   2.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbZn2Ga
_chemical_formula_sum   'Nb1 Zn2 Ga1'
_cell_volume   64.97
_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  0.69  0.0  0.0  1.0
  Zn  Zn2  1  0.35  0.86  0.41  1.0
  Zn  Zn3  1  0.35  0.14  0.41  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0

data_NbZn2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   115.64
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbZn2Ga
_chemical_formula_sum   'Nb1 Zn2 Ga1'
_cell_volume   64.97
_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  0.69  0.0  1.0
  Zn  Zn1  1  0.41  0.35  0.86  1.0
  Zn  Zn2  1  0.41  0.35  0.14  1.0
  Ga  Ga3  1  0.0  0.0  0.0  1.0

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