data_NaZr2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   6.0
_cell_angle_alpha   148.26
_cell_angle_beta   128.9
_cell_angle_gamma   61.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZr2Au
_chemical_formula_sum   'Na1 Zr2 Au1'
_cell_volume   87.72
_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  0.5  1.0
  Zr  Zr2  1  0.64  0.0  0.13  1.0
  Zr  Zr3  1  0.0  0.0  0.74  1.0
  Au  Au0  1  0.64  0.0  0.12  1.0

data_NaZr2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   5.18
_cell_length_c   6.0
_cell_angle_alpha   115.55
_cell_angle_beta   105.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZr2Au
_chemical_formula_sum   'Na1 Zr2 Au1'
_cell_volume   87.72
_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  0.5  0.5  1.0
  Zr  Zr1  1  0.0  0.13  0.49  1.0
  Zr  Zr2  1  0.0  0.74  0.74  1.0
  Au  Au3  1  0.0  0.12  0.47  1.0

Na Zr Zr Au