data_NaZrAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96
_cell_length_b   6.96
_cell_length_c   6.96
_cell_angle_alpha   154.63
_cell_angle_beta   150.55
_cell_angle_gamma   39.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZrAu
_chemical_formula_sum   'Na1 Zr1 Au1'
_cell_volume   70.94
_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  0.0  0.0  0.62  1.0
  Zr  Zr2  1  0.0  0.0  0.35  1.0
  Au  Au0  1  0.0  0.0  0.15  1.0

data_NaZrAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   3.54
_cell_length_c   6.96
_cell_angle_alpha   104.73
_cell_angle_beta   102.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZrAu
_chemical_formula_sum   'Na1 Zr1 Au1'
_cell_volume   70.94
_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  0.38  0.38  0.38  1.0
  Zr  Zr1  1  0.65  0.65  0.65  1.0
  Au  Au2  1  0.85  0.85  0.85  1.0

Na Zr Au
Na Zr Au 0 1 o o o 1 2 o o o 