data_SrSnGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   5.67
_cell_angle_alpha   131.41
_cell_angle_beta   131.41
_cell_angle_gamma   71.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSnGe2
_chemical_formula_sum   'Sr1 Sn1 Ge2'
_cell_volume   100.52
_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  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.0  0.0  0.61  1.0
  Ge  Ge0  1  0.33  0.0  0.31  1.0
  Ge  Ge1  1  0.0  0.33  0.31  1.0

data_SrSnGe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.6
_cell_length_b   6.6
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   125.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrSnGe2
_chemical_formula_sum   'Sr2 Sn2 Ge4'
_cell_volume   201.04
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Sn  Sn1  2  0.39  0.0  0.39  1.0
  Ge  Ge2  4  0.36  0.33  0.03  1.0

Sr Sn Ge Ge
Sr Sn Ge Ge 0 3 o o o 0 2 o o o 0 1 o o - 