data_ZnSn2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   5.78
_cell_angle_alpha   136.65
_cell_angle_beta   136.65
_cell_angle_gamma   62.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSn2Ge
_chemical_formula_sum   'Zn1 Sn2 Ge1'
_cell_volume   90.0
_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  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.93  1.0
  Sn  Sn2  1  0.0  0.14  0.47  1.0
  Ge  Ge0  1  0.14  0.0  0.47  1.0

data_ZnSn2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   5.78
_cell_angle_alpha   111.67
_cell_angle_beta   111.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSn2Ge
_chemical_formula_sum   'Zn1 Sn2 Ge1'
_cell_volume   90.0
_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  Zn0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.07  0.0  0.07  1.0
  Sn  Sn2  1  0.67  0.14  0.67  1.0
  Ge  Ge3  1  0.53  0.0  0.67  1.0

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