data_ZnSn2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   8.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSn2Ge
_chemical_formula_sum   'Zn1 Sn2 Ge1'
_cell_volume   91.46
_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  Zn3  1  0.0  0.0  0.61  1.0
  Sn  Sn1  1  0.0  0.0  0.55  1.0
  Sn  Sn2  1  0.62  0.62  0.48  1.0
  Ge  Ge0  1  0.62  0.62  0.25  1.0

data_ZnSn2Ge
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   8.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnSn2Ge
_chemical_formula_sum   'Zn2 Sn4 Ge2'
_cell_volume   182.93
_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  0.61  1.0
  Sn  Sn1  2  0.0  0.0  0.55  1.0
  Sn  Sn2  2  0.12  0.5  0.48  1.0
  Ge  Ge3  2  0.12  0.5  0.25  1.0

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