data_SrTiGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   6.31
_cell_angle_alpha   106.44
_cell_angle_beta   106.44
_cell_angle_gamma   51.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTiGe2
_chemical_formula_sum   'Sr1 Ti1 Ge2'
_cell_volume   94.97
_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  0.06  0.0  1.0  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.52  0.0  0.05  1.0
  Ge  Ge1  1  0.6  0.0  0.94  1.0

data_SrTiGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   4.5
_cell_length_c   6.31
_cell_angle_alpha   106.44
_cell_angle_beta   90.0
_cell_angle_gamma   115.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTiGe2
_chemical_formula_sum   'Sr1 Ti1 Ge2'
_cell_volume   94.97
_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  0.94  0.0  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.0  0.4  0.06  1.0
  Ge  Ge3  1  0.0  0.48  0.95  1.0

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