[CIF]
data_ZrAl2Cu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98219778
_cell_length_b   4.98219778
_cell_length_c   8.91902607
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAl2Cu3
_chemical_formula_sum   'Zr2 Al4 Cu6'
_cell_volume   191.72996522
_cell_formula_units_Z   2
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
  Al  Al0  1  2.49109889  1.43823662  5.02027067  1
  Al  Al1  1  0.00000000  2.87647323  0.56075763  1
  Al  Al2  1  0.00000000  2.87647323  3.89875540  1
  Al  Al3  1  2.49109889  1.43823662  8.35826844  1
  Cu  Cu4  1  1.21428873  3.57754316  6.68926955  1
  Cu  Cu5  1  -1.21428873  3.57754316  6.68926955  1
  Cu  Cu6  1  -0.00000000  1.47433338  6.68926955  1
  Cu  Cu7  1  1.27681016  0.73716669  2.22975652  1
  Cu  Cu8  1  3.70538763  0.73716669  2.22975652  1
  Cu  Cu9  1  2.49109889  2.84037647  2.22975652  1
  Zr  Zr10  1  0.00000000  0.00000000  4.45951303  1
  Zr  Zr11  1  0.00000000  0.00000000  0.00000000  1
[/CIF]
