data_NaTi2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.55
_cell_angle_alpha   101.99
_cell_angle_beta   101.99
_cell_angle_gamma   32.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTi2Au
_chemical_formula_sum   'Na1 Ti2 Au1'
_cell_volume   76.66
_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  0.19  0.0  0.43  1.0
  Ti  Ti2  1  0.56  0.0  0.22  1.0
  Ti  Ti3  1  0.58  0.0  0.11  1.0
  Au  Au0  1  0.48  0.0  0.78  1.0

data_NaTi2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   5.16
_cell_length_c   5.55
_cell_angle_alpha   101.99
_cell_angle_beta   90.0
_cell_angle_gamma   106.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTi2Au
_chemical_formula_sum   'Na1 Ti2 Au1'
_cell_volume   76.66
_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  0.81  0.57  1.0
  Ti  Ti1  1  0.0  0.42  0.89  1.0
  Ti  Ti2  1  0.0  0.44  0.78  1.0
  Au  Au3  1  0.0  0.52  0.22  1.0

Na Ti Ti Au