[CIF]
data_Zr2BAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97418213
_cell_length_b   2.97418213
_cell_length_c   7.66118104
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.15073257
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2BAu
_chemical_formula_sum   'Zr2 B1 Au1'
_cell_volume   67.24186387
_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  0.00000000  0.00000000  3.83059052  1
  B  B1  1  0.00000000  0.00000000  0.00000000  1
  Zr  Zr2  1  1.96782093  0.00000000  1.57257539  1
  Zr  Zr3  1  1.96782093  0.00000000  6.08860565  1
[/CIF]
