data_ZrNb2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   2.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNb2Ga
_chemical_formula_sum   'Zr1 Nb2 Ga1'
_cell_volume   74.75
_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
  Zr  Zr3  1  0.9  0.0  0.0  1.0
  Nb  Nb1  1  0.45  0.21  0.46  1.0
  Nb  Nb2  1  0.45  0.79  0.46  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0

data_ZrNb2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   113.51
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNb2Ga
_chemical_formula_sum   'Zr1 Nb2 Ga1'
_cell_volume   74.75
_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
  Zr  Zr0  1  0.0  0.9  0.0  1.0
  Nb  Nb1  1  0.46  0.45  0.21  1.0
  Nb  Nb2  1  0.46  0.45  0.79  1.0
  Ga  Ga3  1  0.0  0.0  0.0  1.0

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