# generated using pymatgen
data_ZrAl4(GaCu3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47303327
_cell_length_b   6.47303219
_cell_length_c   6.47274880
_cell_angle_alpha   133.96209823
_cell_angle_beta   99.77693881
_cell_angle_gamma   97.81891326
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAl4(GaCu3)2
_chemical_formula_sum   'Zr1 Al4 Ga2 Cu6'
_cell_volume   179.63244364
_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
  Zr  Zr0  1  0.00000000  0.00000000  0.00000000  1.0
  Al  Al1  1  0.65768977  0.65768977  1.00000000  1.0
  Al  Al2  1  0.34231023  0.34231023  0.00000000  1.0
  Al  Al3  1  0.17909211  0.67909211  0.50000000  1.0
  Al  Al4  1  0.82090789  0.32090789  0.50000000  1.0
  Ga  Ga5  1  0.34657542  0.00048573  0.34706115  1.0
  Ga  Ga6  1  0.65342458  0.99951427  0.65293885  1.0
  Cu  Cu7  1  0.75984765  0.49956139  0.25940904  1.0
  Cu  Cu8  1  0.24015235  0.50043861  0.74059096  1.0
  Cu  Cu9  1  0.00000000  0.00000000  0.50000000  1.0
  Cu  Cu10  1  0.00000000  0.50000000  0.00000000  1.0
  Cu  Cu11  1  0.50000000  0.00000000  0.00000000  1.0
  Cu  Cu12  1  0.50000000  0.50000000  0.50000000  1.0