data_ZnGe2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   3.15
_cell_angle_alpha   104.96
_cell_angle_beta   104.96
_cell_angle_gamma   123.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGe2Au
_chemical_formula_sum   'Zn1 Ge2 Au1'
_cell_volume   73.7
_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
  Ge  Ge1  1  0.37  0.56  0.0  1.0
  Ge  Ge2  1  0.37  0.44  0.0  1.0
  Au  Au0  1  0.73  0.0  0.0  1.0

data_ZnGe2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.57
_cell_length_c   5.8
_cell_angle_alpha   112.64
_cell_angle_beta   104.96
_cell_angle_gamma   91.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGe2Au
_chemical_formula_sum   'Zn1 Ge2 Au1'
_cell_volume   73.7
_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
  Ge  Ge1  1  0.44  0.44  0.81  1.0
  Ge  Ge2  1  0.56  0.56  0.92  1.0
  Au  Au3  1  0.0  0.0  0.73  1.0

Zn Ge Ge Au