data_Zn2SiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   8.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2SiGe
_chemical_formula_sum   'Zn2 Si1 Ge1'
_cell_volume   65.69
_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
  Zn  Zn2  1  0.43  0.43  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.91  1.0
  Si  Si1  1  0.0  0.0  0.19  1.0
  Ge  Ge0  1  0.43  0.43  0.03  1.0

data_Zn2SiGe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.03
_cell_length_b   4.03
_cell_length_c   8.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn2SiGe
_chemical_formula_sum   'Zn4 Si2 Ge2'
_cell_volume   131.39
_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
  Zn  Zn0  2  0.0  0.0  0.91  1.0
  Zn  Zn1  2  0.43  0.0  0.0  1.0
  Si  Si2  2  0.0  0.0  0.19  1.0
  Ge  Ge3  2  0.43  0.0  0.03  1.0

Zn Zn Si Ge
Zn Zn Si Ge 0 3 o o o 0 1 + + - 0 1 + o - 0 1 o + - 0 1 o o - 0 2 + + o 0 2 + o o 0 2 o + o 0 2 o o o 1 3 - o + 1 3 o - + 1 3 o o + 1 2 o o + 2 3 - - o 2 3 - o o 2 3 o - o 2 3 o o o 