data_NaMoAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.13
_cell_angle_alpha   99.41
_cell_angle_beta   99.41
_cell_angle_gamma   29.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMoAu2
_chemical_formula_sum   'Na1 Mo1 Au2'
_cell_volume   72.78
_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  0.06  0.0  0.15  1.0
  Mo  Mo2  1  0.71  0.0  0.14  1.0
  Au  Au0  1  0.33  0.0  0.72  1.0
  Au  Au1  1  0.53  0.0  0.63  1.0

data_NaMoAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   5.13
_cell_length_c   5.44
_cell_angle_alpha   99.41
_cell_angle_beta   104.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMoAu2
_chemical_formula_sum   'Na1 Mo1 Au2'
_cell_volume   72.78
_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  0.15  0.06  1.0
  Mo  Mo1  1  0.0  0.14  0.71  1.0
  Au  Au2  1  0.0  0.63  0.53  1.0
  Au  Au3  1  0.0  0.72  0.33  1.0

Na Mo Au Au