data_SrGa2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54
_cell_length_b   3.81
_cell_length_c   6.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrGa2Ge
_chemical_formula_sum   'Sr1 Ga2 Ge1'
_cell_volume   92.06
_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  0.77  0.9  0.11  1.0
  Ga  Ga0  1  0.0  0.0  0.42  1.0
  Ga  Ga1  1  0.77  0.9  0.71  1.0
  Ge  Ge2  1  0.0  0.0  0.01  1.0

data_SrGa2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   3.81
_cell_length_c   6.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrGa2Ge
_chemical_formula_sum   'Sr1 Ga2 Ge1'
_cell_volume   92.06
_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  0.77  0.9  0.11  1.0
  Ga  Ga1  1  0.0  0.0  0.42  1.0
  Ga  Ga2  1  0.77  0.9  0.71  1.0
  Ge  Ge3  1  0.0  0.0  0.01  1.0

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