data_Na2SiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   5.8
_cell_angle_alpha   111.82
_cell_angle_beta   111.82
_cell_angle_gamma   58.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2SiAu
_chemical_formula_sum   'Na2 Si1 Au1'
_cell_volume   87.42
_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  Na1  1  0.2  0.0  0.01  1.0
  Na  Na2  1  0.19  0.0  0.55  1.0
  Si  Si3  1  0.62  0.0  0.29  1.0
  Au  Au0  1  0.06  0.0  0.26  1.0

data_Na2SiAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.33
_cell_length_b   4.42
_cell_length_c   5.8
_cell_angle_alpha   111.82
_cell_angle_beta   90.0
_cell_angle_gamma   119.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2SiAu
_chemical_formula_sum   'Na2 Si1 Au1'
_cell_volume   87.42
_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  0.8  0.99  1.0
  Na  Na1  1  0.0  0.81  0.45  1.0
  Si  Si2  1  0.0  0.38  0.71  1.0
  Au  Au3  1  0.0  0.94  0.74  1.0

Na Na Si Au