data_SrSi2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   133.31
_cell_angle_beta   133.31
_cell_angle_gamma   68.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSi2Ge
_chemical_formula_sum   'Sr1 Si2 Ge1'
_cell_volume   84.83
_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  0.16  0.0  0.26  1.0
  Si  Si1  1  0.0  0.16  0.26  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.0  0.53  1.0

data_SrSi2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   5.46
_cell_angle_alpha   113.34
_cell_angle_beta   113.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSi2Ge
_chemical_formula_sum   'Sr1 Si2 Ge1'
_cell_volume   84.83
_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  0.74  0.0  0.9  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.9  0.16  0.9  1.0
  Ge  Ge3  1  0.47  0.0  0.47  1.0

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