data_ZnAg2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   5.08
_cell_angle_alpha   100.1
_cell_angle_beta   100.1
_cell_angle_gamma   36.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnAg2Ge
_chemical_formula_sum   'Zn1 Ag2 Ge1'
_cell_volume   69.84
_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
  Ag  Ag0  1  0.62  0.0  0.77  1.0
  Ag  Ag1  1  0.68  0.0  0.22  1.0
  Ge  Ge2  1  0.15  0.0  0.5  1.0

data_ZnAg2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.86
_cell_length_c   5.08
_cell_angle_alpha   100.1
_cell_angle_beta   90.0
_cell_angle_gamma   108.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnAg2Ge
_chemical_formula_sum   'Zn1 Ag2 Ge1'
_cell_volume   69.84
_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
  Ag  Ag1  1  0.0  0.32  0.78  1.0
  Ag  Ag2  1  0.0  0.38  0.23  1.0
  Ge  Ge3  1  0.0  0.85  0.5  1.0

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