data_Zn2SiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   131.63
_cell_angle_beta   131.63
_cell_angle_gamma   70.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2SiGe
_chemical_formula_sum   'Zn2 Si1 Ge1'
_cell_volume   66.73
_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  0.03  0.0  0.02  1.0
  Zn  Zn3  1  0.0  0.03  0.02  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.0  0.04  1.0

data_Zn2SiGe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   125.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn2SiGe
_chemical_formula_sum   'Zn4 Si2 Ge2'
_cell_volume   133.46
_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  4  0.48  0.52  0.99  1.0
  Si  Si1  2  0.0  0.0  0.0  1.0
  Ge  Ge2  2  0.0  0.0  0.04  1.0

Zn Zn Si Ge