data_SrMgGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.85
_cell_length_b   4.63
_cell_length_c   8.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMgGe
_chemical_formula_sum   'Sr4 Mg4 Ge4'
_cell_volume   312.45
_cell_formula_units_Z   4
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  Sr8  1  0.74  0.47  0.58  1.0
  Sr  Sr9  1  0.81  0.47  0.72  1.0
  Sr  Sr10  1  0.04  0.16  0.88  1.0
  Sr  Sr11  1  0.12  0.16  0.02  1.0
  Mg  Mg4  1  0.04  0.16  0.54  1.0
  Mg  Mg5  1  0.12  0.16  0.76  1.0
  Mg  Mg6  1  0.73  0.47  0.85  1.0
  Mg  Mg7  1  0.81  0.47  0.06  1.0
  Ge  Ge0  1  0.19  0.16  0.94  1.0
  Ge  Ge1  1  0.12  0.16  0.36  1.0
  Ge  Ge2  1  0.74  0.47  0.25  1.0
  Ge  Ge3  1  0.66  0.47  0.66  1.0

data_SrMgGe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.63
_cell_length_b   7.85
_cell_length_c   8.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SrMgGe
_chemical_formula_sum   'Sr4 Mg4 Ge4'
_cell_volume   312.45
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.34  0.12  0.08  1.0
  Sr  Sr1  2  0.34  0.19  0.22  1.0
  Mg  Mg2  2  0.34  0.12  0.74  1.0
  Mg  Mg3  2  0.34  0.19  0.96  1.0
  Ge  Ge4  2  0.34  0.19  0.56  1.0
  Ge  Ge5  2  0.34  0.26  0.14  1.0

Sr Sr Sr Sr Mg Mg Mg Mg Ge Ge Ge Ge
Sr Sr Sr Sr Mg Mg Mg Mg Ge Ge Ge Ge 0 11 o o o 0 1 o o o 1 11 o o o 1 6 o o o 2 5 o o o 2 3 o o + 2 8 o o o 3 8 o o - 4 9 o o o 4 5 o o o 6 7 o o + 7 10 o o o 