data_SrFeGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   4.08
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   99.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrFeGe2
_chemical_formula_sum   'Sr1 Fe1 Ge2'
_cell_volume   81.93
_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  0.06  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.64  0.04  0.11  1.0
  Ge  Ge2  1  0.67  0.04  0.02  1.0

data_SrFeGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.08
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   99.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrFeGe2
_chemical_formula_sum   'Sr1 Fe1 Ge2'
_cell_volume   81.93
_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  0.06  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.64  0.04  0.11  1.0
  Ge  Ge3  1  0.67  0.04  0.02  1.0

Sr Fe Ge Ge
Sr Fe Ge Ge 0 1 o o o 2 3 o o o 