data_ZnAg2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   132.9
_cell_angle_beta   132.9
_cell_angle_gamma   68.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnAg2Ge
_chemical_formula_sum   'Zn1 Ag2 Ge1'
_cell_volume   69.67
_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  0.04  0.0  0.1  1.0
  Ag  Ag1  1  0.0  0.0  0.2  1.0
  Ge  Ge2  1  0.0  0.04  0.1  1.0

data_ZnAg2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   5.09
_cell_angle_alpha   113.55
_cell_angle_beta   113.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnAg2Ge
_chemical_formula_sum   'Zn1 Ag2 Ge1'
_cell_volume   69.67
_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  0.8  0.0  0.8  1.0
  Ag  Ag2  1  0.9  0.0  0.93  1.0
  Ge  Ge3  1  0.93  0.04  0.93  1.0

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