data_SrSiGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   3.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSiGe2
_chemical_formula_sum   'Sr1 Si1 Ge2'
_cell_volume   90.0
_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  0.1  0.0  0.0  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.55  0.87  0.7  1.0
  Ge  Ge1  1  0.55  0.13  0.7  1.0

data_SrSiGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   107.99
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSiGe2
_chemical_formula_sum   'Sr1 Si1 Ge2'
_cell_volume   90.0
_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  -0.0  0.1  0.0  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.7  0.55  0.13  1.0
  Ge  Ge3  1  0.7  0.55  0.87  1.0

Sr Si Ge Ge
Sr Si Ge Ge 0 1 o o o 2 3 o + o 