data_Sr2SnGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74
_cell_length_b   6.74
_cell_length_c   5.14
_cell_angle_alpha   111.8
_cell_angle_beta   111.8
_cell_angle_gamma   35.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2SnGe
_chemical_formula_sum   'Sr2 Sn1 Ge1'
_cell_volume   126.11
_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  0.07  1.0
  Sr  Sr3  1  0.56  0.0  0.41  1.0
  Sn  Sn1  1  0.69  0.0  0.31  1.0
  Ge  Ge0  1  0.91  0.0  0.32  1.0

data_Sr2SnGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   5.14
_cell_length_c   6.74
_cell_angle_alpha   111.8
_cell_angle_beta   107.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2SnGe
_chemical_formula_sum   'Sr2 Sn1 Ge1'
_cell_volume   126.11
_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  0.07  0.06  1.0
  Sr  Sr1  1  0.0  0.41  0.56  1.0
  Sn  Sn2  1  0.0  0.31  0.69  1.0
  Ge  Ge3  1  0.0  0.32  0.91  1.0

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