[CIF]
data_ZrAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99473981
_cell_length_b   2.99473981
_cell_length_c   4.39088302
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.23703143
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAu
_chemical_formula_sum   'Zr1 Au1'
_cell_volume   38.97324242
_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
  Au  Au0  1  1.96004678  0.00000000  2.19544151  1
  Zr  Zr1  1  0.00000000  0.00000000  0.00000000  1
[/CIF]
