data_Sr2LaGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.9
_cell_length_b   3.9
_cell_length_c   10.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2LaGa
_chemical_formula_sum   'Sr2 La1 Ga1'
_cell_volume   154.99
_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  0.99  1.0
  Sr  Sr3  1  0.95  0.95  0.24  1.0
  La  La1  1  0.95  0.95  0.89  1.0
  Ga  Ga0  1  0.0  0.0  0.29  1.0

data_Sr2LaGa
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   10.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2LaGa
_chemical_formula_sum   'Sr4 La2 Ga2'
_cell_volume   309.98
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.99  1.0
  Sr  Sr1  2  0.45  0.5  0.24  1.0
  La  La2  2  0.45  0.5  0.89  1.0
  Ga  Ga3  2  0.0  0.0  0.29  1.0

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