data_ZnGeSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   5.27
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGeSb2
_chemical_formula_sum   'Zn1 Ge1 Sb2'
_cell_volume   99.75
_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  0.81  0.0  0.96  1.0
  Ge  Ge0  1  0.44  0.64  0.52  1.0
  Sb  Sb1  1  0.42  0.0  0.46  1.0
  Sb  Sb2  1  0.09  0.64  0.89  1.0

data_ZnGeSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   5.27
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGeSb2
_chemical_formula_sum   'Zn1 Ge1 Sb2'
_cell_volume   99.75
_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  0.81  0.0  0.96  1.0
  Ge  Ge1  1  0.44  0.64  0.52  1.0
  Sb  Sb2  1  0.09  0.64  0.89  1.0
  Sb  Sb3  1  0.42  0.0  0.46  1.0

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