data_NbGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   4.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   50.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGa2
_chemical_formula_sum   'Nb2 Ga4'
_cell_volume   100.54
_cell_formula_units_Z   2
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  Nb4  1  0.75  0.59  0.19  1.0
  Nb  Nb5  1  0.75  0.41  0.57  1.0
  Ga  Ga0  1  0.14  0.82  0.19  1.0
  Ga  Ga1  1  0.36  0.18  0.57  1.0
  Ga  Ga2  1  0.36  0.82  0.19  1.0
  Ga  Ga3  1  0.14  0.18  0.57  1.0

data_NbGa2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.44
_cell_length_b   4.77
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   115.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NbGa2
_chemical_formula_sum   'Nb2 Ga4'
_cell_volume   100.54
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.41  0.19  0.91  1.0
  Ga  Ga1  2  0.18  0.19  0.07  1.0
  Ga  Ga2  2  0.18  0.19  0.29  1.0

Nb Nb Ga Ga Ga Ga