data_NaGa2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   129.25
_cell_angle_beta   125.53
_cell_angle_gamma   77.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGa2Au
_chemical_formula_sum   'Na1 Ga2 Au1'
_cell_volume   77.79
_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  0.9  1.0
  Ga  Ga1  1  0.0  0.0  0.04  1.0
  Ga  Ga2  1  0.0  0.3  0.07  1.0
  Au  Au0  1  0.16  0.0  0.83  1.0

data_NaGa2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.31
_cell_length_b   4.6
_cell_length_c   5.03
_cell_angle_alpha   117.23
_cell_angle_beta   115.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGa2Au
_chemical_formula_sum   'Na1 Ga2 Au1'
_cell_volume   77.79
_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  0.1  0.1  0.1  1.0
  Ga  Ga1  1  0.93  0.23  0.23  1.0
  Ga  Ga2  1  0.96  0.96  0.96  1.0
  Au  Au3  1  0.32  0.17  0.32  1.0

Na Ga Ga Au