data_ZnGe2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   4.01
_cell_length_c   6.31
_cell_angle_alpha   90.0
_cell_angle_beta   100.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGe2Au
_chemical_formula_sum   'Zn1 Ge2 Au1'
_cell_volume   72.99
_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  0.33  0.0  0.24  1.0
  Ge  Ge1  1  0.63  0.0  0.06  1.0
  Ge  Ge2  1  0.25  0.0  0.57  1.0
  Au  Au0  1  0.86  0.0  0.45  1.0

data_ZnGe2Au
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.93
_cell_length_b   4.01
_cell_length_c   6.31
_cell_angle_alpha   90.0
_cell_angle_beta   100.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ZnGe2Au
_chemical_formula_sum   'Zn1 Ge2 Au1'
_cell_volume   72.99
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.33  0.0  0.24  1.0
  Ge  Ge1  1  0.25  0.0  0.57  1.0
  Ge  Ge2  1  0.63  0.0  0.06  1.0
  Au  Au3  1  0.86  0.0  0.45  1.0

Zn Ge Ge Au