data_SrMgGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   5.17
_cell_length_c   6.36
_cell_angle_alpha   90.0
_cell_angle_beta   99.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMgGa2
_chemical_formula_sum   'Sr1 Mg1 Ga2'
_cell_volume   109.05
_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  Sr3  1  0.15  0.0  0.13  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.03  0.59  0.71  1.0
  Ga  Ga1  1  0.27  0.59  0.56  1.0

data_SrMgGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   5.17
_cell_length_c   6.36
_cell_angle_alpha   90.0
_cell_angle_beta   99.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMgGa2
_chemical_formula_sum   'Sr1 Mg1 Ga2'
_cell_volume   109.05
_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  0.15  0.0  0.13  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.03  0.59  0.71  1.0
  Ga  Ga3  1  0.27  0.59  0.56  1.0

Sr Mg Ga Ga
Sr Mg Ga Ga 0 1 o o o 2 3 o o o 