data_Sr2NbGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.1
_cell_length_b   6.1
_cell_length_c   6.1
_cell_angle_alpha   131.89
_cell_angle_beta   131.89
_cell_angle_gamma   70.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2NbGa
_chemical_formula_sum   'Sr2 Nb1 Ga1'
_cell_volume   123.16
_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
  Sr  Sr2  1  0.0  0.0  0.98  1.0
  Sr  Sr3  1  0.0  0.49  0.49  1.0
  Nb  Nb1  1  0.49  0.0  0.49  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0

data_Sr2NbGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   6.1
_cell_angle_alpha   114.06
_cell_angle_beta   114.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2NbGa
_chemical_formula_sum   'Sr2 Nb1 Ga1'
_cell_volume   123.16
_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
  Sr  Sr0  1  0.01  0.49  0.01  1.0
  Sr  Sr1  1  0.98  0.98  0.98  1.0
  Nb  Nb2  1  0.49  0.01  0.01  1.0
  Ga  Ga3  1  0.0  0.0  0.0  1.0

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