data_NaGe2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   2.85
_cell_angle_alpha   100.49
_cell_angle_beta   100.49
_cell_angle_gamma   118.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGe2Au
_chemical_formula_sum   'Na1 Ge2 Au1'
_cell_volume   78.12
_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
  Na  Na3  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.98  0.53  0.33  1.0
  Ge  Ge2  1  0.98  0.47  0.33  1.0
  Au  Au0  1  0.97  0.0  0.0  1.0

data_NaGe2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   5.6
_cell_length_c   5.77
_cell_angle_alpha   116.89
_cell_angle_beta   100.49
_cell_angle_gamma   97.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGe2Au
_chemical_formula_sum   'Na1 Ge2 Au1'
_cell_volume   78.12
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.8  0.47  0.45  1.0
  Ge  Ge2  1  0.86  0.53  0.51  1.0
  Au  Au3  1  0.0  0.0  0.97  1.0

Na Ge Ge Au
Na Ge Ge Au 0 3 - o o 1 2 o o o 