# generated using pymatgen
data_ZrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11774886
_cell_length_b   10.16967489
_cell_length_c   50.68188754
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu
_chemical_formula_sum   'Zr21 Cu21'
_cell_volume   1606.94487474
_cell_formula_units_Z   21
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  Zr1  1  1.017772  0.156677  0.318638  1
  Zr  Zr2  1  1.017772  0.859260  0.293679  1
  Zr  Zr3  1  1.017772  0.555591  0.278646  1
  Zr  Zr4  1  1.017772  0.050303  0.378157  1
  Zr  Zr5  1  1.017772  0.753684  0.358361  1
  Zr  Zr6  1  1.017772  0.454747  0.335412  1
  Zr  Zr7  1  1.017772  0.942585  0.441583  1
  Zr  Zr8  1  1.017772  0.644760  0.420257  1
  Zr  Zr9  1  1.017772  0.349997  0.400145  1
  Zr  Zr10  1  1.017772  0.832202  0.504445  1
  Zr  Zr11  1  1.017772  0.535298  0.483469  1
  Zr  Zr12  1  1.017772  0.238394  0.462492  1
  Zr  Zr13  1  1.017772  0.720599  0.566792  1
  Zr  Zr14  1  1.017772  0.425835  0.546680  1
  Zr  Zr15  1  1.017772  0.128011  0.525354  1
  Zr  Zr16  1  1.017772  0.615849  0.631526  1
  Zr  Zr17  1  1.017772  0.316912  0.608576  1
  Zr  Zr18  1  1.017772  0.020292  0.588780  1
  Zr  Zr19  1  1.017772  0.515004  0.688292  1
  Zr  Zr20  1  1.017772  0.211336  0.673259  1
  Zr  Zr21  1  1.017772  0.913918  0.648299  1
  Cu  Cu22  1  0.517772  0.072780  0.279671  1
  Cu  Cu23  1  0.517772  0.668210  0.317439  1
  Cu  Cu24  1  0.517772  0.338917  0.293008  1
  Cu  Cu25  1  0.517772  0.947760  0.334896  1
  Cu  Cu26  1  0.517772  0.546957  0.377578  1
  Cu  Cu27  1  0.517772  0.262393  0.359083  1
  Cu  Cu28  1  0.517772  0.850550  0.400054  1
  Cu  Cu29  1  0.517772  0.443109  0.441873  1
  Cu  Cu30  1  0.517772  0.144446  0.420074  1
  Cu  Cu31  1  0.517772  0.738270  0.462319  1
  Cu  Cu32  1  0.517772  0.332325  0.504619  1
  Cu  Cu33  1  0.517772  0.035298  0.483469  1
  Cu  Cu34  1  0.517772  0.627486  0.525065  1
  Cu  Cu35  1  0.517772  0.220046  0.566883  1
  Cu  Cu36  1  0.517772  0.926149  0.546864  1
  Cu  Cu37  1  0.517772  0.523638  0.589360  1
  Cu  Cu38  1  0.517772  0.122836  0.632042  1
  Cu  Cu39  1  0.517772  0.808203  0.607855  1
  Cu  Cu40  1  0.517772  0.402386  0.649499  1
  Cu  Cu41  1  0.517772  0.997815  0.687266  1
  Cu  Cu42  1  0.517772  0.731678  0.673929  1
