data_SmGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01
_cell_length_b   6.01
_cell_length_c   4.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   136.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmGa
_chemical_formula_sum   'Sm2 Ga2'
_cell_volume   102.66
_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
  Sm  Sm0  1  0.21  0.98  0.04  1.0
  Sm  Sm1  1  0.21  0.02  0.11  1.0
  Ga  Ga2  1  0.21  0.19  0.04  1.0
  Ga  Ga3  1  0.21  0.81  0.11  1.0

data_SmGa
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.15
_cell_length_b   4.43
_cell_length_c   6.01
_cell_angle_alpha   111.59
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SmGa
_chemical_formula_sum   'Sm2 Ga2'
_cell_volume   102.66
_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
  Sm  Sm0  2  0.04  0.98  0.98  1.0
  Ga  Ga1  2  0.04  0.19  0.19  1.0

Sm Sm Ga Ga
Sm Sm Ga Ga 0 1 o + o 0 2 o + o 0 3 o o o 1 2 o o o 1 3 o - o 