data_NaMoAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   6.66
_cell_angle_alpha   94.51
_cell_angle_beta   94.51
_cell_angle_gamma   33.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMoAu2
_chemical_formula_sum   'Na1 Mo1 Au2'
_cell_volume   79.85
_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
  Mo  Mo2  1  0.17  0.0  0.32  1.0
  Au  Au0  1  0.79  0.0  0.71  1.0
  Au  Au1  1  0.56  0.0  0.93  1.0

data_NaMoAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.65
_cell_length_c   6.66
_cell_angle_alpha   94.51
_cell_angle_beta   90.0
_cell_angle_gamma   106.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMoAu2
_chemical_formula_sum   'Na1 Mo1 Au2'
_cell_volume   79.85
_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
  Mo  Mo1  1  0.0  0.83  0.68  1.0
  Au  Au2  1  0.0  0.21  0.29  1.0
  Au  Au3  1  0.0  0.44  0.07  1.0

Na Mo Au Au