data_ZnAg2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   3.5
_cell_length_c   5.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnAg2Ge
_chemical_formula_sum   'Zn1 Ag2 Ge1'
_cell_volume   70.17
_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  0.33  1.0
  Ag  Ag0  1  0.75  0.75  0.65  1.0
  Ag  Ag1  1  0.0  0.0  0.49  1.0
  Ge  Ge2  1  0.75  0.75  0.85  1.0

data_ZnAg2Ge
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   5.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnAg2Ge
_chemical_formula_sum   'Zn2 Ag4 Ge2'
_cell_volume   140.34
_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  0.33  1.0
  Ag  Ag1  2  0.0  0.0  0.49  1.0
  Ag  Ag2  2  0.25  0.5  0.65  1.0
  Ge  Ge3  2  0.25  0.5  0.85  1.0

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