# generated using pymatgen
data_ZrCu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.71568837
_cell_length_b   9.71568837
_cell_length_c   51.74845735
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu5
_chemical_formula_sum   'Zr24 Cu120'
_cell_volume   4230.33920106
_cell_formula_units_Z   24
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  0.709199  0.210064  0.299336  1
  Zr  Zr2  1  0.209199  0.710064  0.299336  1
  Zr  Zr3  1  0.709199  0.710064  0.299336  1
  Zr  Zr4  1  0.209199  0.210064  0.299336  1
  Zr  Zr5  1  0.375865  0.876731  0.374602  1
  Zr  Zr6  1  0.875865  0.376731  0.374602  1
  Zr  Zr7  1  0.375865  0.376731  0.374602  1
  Zr  Zr8  1  0.875865  0.876731  0.374602  1
  Zr  Zr9  1  0.042532  0.543398  0.451709  1
  Zr  Zr10  1  0.542532  0.043398  0.451709  1
  Zr  Zr11  1  0.042532  0.043398  0.451709  1
  Zr  Zr12  1  0.542532  0.543398  0.451709  1
  Zr  Zr13  1  0.709199  0.210064  0.528834  1
  Zr  Zr14  1  0.209199  0.710064  0.528834  1
  Zr  Zr15  1  0.709199  0.710064  0.528834  1
  Zr  Zr16  1  0.209199  0.210064  0.528834  1
  Zr  Zr17  1  0.375865  0.876731  0.605904  1
  Zr  Zr18  1  0.875865  0.376731  0.605904  1
  Zr  Zr19  1  0.375865  0.376731  0.605904  1
  Zr  Zr20  1  0.875865  0.876731  0.605904  1
  Zr  Zr21  1  0.042532  0.543398  0.682862  1
  Zr  Zr22  1  0.542532  0.043398  0.682862  1
  Zr  Zr23  1  0.042532  0.043398  0.682862  1
  Zr  Zr24  1  0.542532  0.543398  0.682862  1
  Cu  Cu25  1  0.542532  0.043398  0.284748  1
  Cu  Cu26  1  0.375865  0.376731  0.284729  1
  Cu  Cu27  1  0.458803  0.959668  0.326160  1
  Cu  Cu28  1  0.209991  0.959668  0.326160  1
  Cu  Cu29  1  0.458803  0.210857  0.326160  1
  Cu  Cu30  1  0.042532  0.543398  0.284748  1
  Cu  Cu31  1  0.875865  0.876731  0.284729  1
  Cu  Cu32  1  0.958803  0.459668  0.326160  1
  Cu  Cu33  1  0.709991  0.459668  0.326160  1
  Cu  Cu34  1  0.958803  0.710857  0.326160  1
  Cu  Cu35  1  0.542532  0.543398  0.284748  1
  Cu  Cu36  1  0.375865  0.876731  0.284729  1
  Cu  Cu37  1  0.458803  0.459668  0.326160  1
  Cu  Cu38  1  0.209991  0.459668  0.326160  1
  Cu  Cu39  1  0.458803  0.710857  0.326160  1
  Cu  Cu40  1  0.042532  0.043398  0.284748  1
  Cu  Cu41  1  0.875865  0.376731  0.284729  1
  Cu  Cu42  1  0.958803  0.959668  0.326160  1
  Cu  Cu43  1  0.709991  0.959668  0.326160  1
  Cu  Cu44  1  0.958803  0.210857  0.326160  1
  Cu  Cu45  1  0.209199  0.710064  0.355514  1
  Cu  Cu46  1  0.042532  0.043398  0.364169  1
  Cu  Cu47  1  0.126604  0.627469  0.403539  1
  Cu  Cu48  1  0.874389  0.627469  0.403539  1
  Cu  Cu49  1  0.126604  0.875255  0.403539  1
  Cu  Cu50  1  0.709199  0.210064  0.355514  1
  Cu  Cu51  1  0.542532  0.543398  0.364169  1
  Cu  Cu52  1  0.626604  0.127469  0.403539  1
  Cu  Cu53  1  0.374389  0.127469  0.403539  1
  Cu  Cu54  1  0.626604  0.375255  0.403539  1
  Cu  Cu55  1  0.209199  0.210064  0.355514  1
  Cu  Cu56  1  0.042532  0.543398  0.364169  1
  Cu  Cu57  1  0.126604  0.127469  0.403539  1
  Cu  Cu58  1  0.874389  0.127469  0.403539  1
  Cu  Cu59  1  0.126604  0.375255  0.403539  1
  Cu  Cu60  1  0.709199  0.710064  0.355514  1
  Cu  Cu61  1  0.542532  0.043398  0.364169  1
  Cu  Cu62  1  0.626604  0.627469  0.403539  1
  Cu  Cu63  1  0.374389  0.627469  0.403539  1
  Cu  Cu64  1  0.626604  0.875255  0.403539  1
  Cu  Cu65  1  0.875865  0.376731  0.432360  1
  Cu  Cu66  1  0.709199  0.710064  0.441665  1
  Cu  Cu67  1  0.793364  0.294229  0.480711  1
  Cu  Cu68  1  0.540869  0.294229  0.480711  1
  Cu  Cu69  1  0.793364  0.541734  0.480711  1
  Cu  Cu70  1  0.375865  0.876731  0.432360  1
  Cu  Cu71  1  0.209199  0.210064  0.441665  1
  Cu  Cu72  1  0.293364  0.794229  0.480711  1
  Cu  Cu73  1  0.040869  0.794229  0.480711  1
  Cu  Cu74  1  0.293364  0.041734  0.480711  1
  Cu  Cu75  1  0.875865  0.876731  0.432360  1
  Cu  Cu76  1  0.709199  0.210064  0.441665  1
  Cu  Cu77  1  0.793364  0.794229  0.480711  1
  Cu  Cu78  1  0.540869  0.794229  0.480711  1
  Cu  Cu79  1  0.793364  0.041734  0.480711  1
  Cu  Cu80  1  0.375865  0.376731  0.432360  1
  Cu  Cu81  1  0.209199  0.710064  0.441665  1
  Cu  Cu82  1  0.293364  0.294229  0.480711  1
  Cu  Cu83  1  0.040869  0.294229  0.480711  1
  Cu  Cu84  1  0.293364  0.541734  0.480711  1
  Cu  Cu85  1  0.542532  0.043398  0.509506  1
  Cu  Cu86  1  0.375865  0.376731  0.518865  1
  Cu  Cu87  1  0.460064  0.960930  0.557875  1
  Cu  Cu88  1  0.207468  0.960930  0.557875  1
  Cu  Cu89  1  0.460064  0.208334  0.557875  1
  Cu  Cu90  1  0.042532  0.543398  0.509506  1
  Cu  Cu91  1  0.875865  0.876731  0.518865  1
  Cu  Cu92  1  0.960064  0.460930  0.557875  1
  Cu  Cu93  1  0.707468  0.460930  0.557875  1
  Cu  Cu94  1  0.960064  0.708334  0.557875  1
  Cu  Cu95  1  0.542532  0.543398  0.509506  1
  Cu  Cu96  1  0.375865  0.876731  0.518865  1
  Cu  Cu97  1  0.460064  0.460930  0.557875  1
  Cu  Cu98  1  0.207468  0.460930  0.557875  1
  Cu  Cu99  1  0.460064  0.708334  0.557875  1
  Cu  Cu100  1  0.042532  0.043398  0.509506  1
  Cu  Cu101  1  0.875865  0.376731  0.518865  1
  Cu  Cu102  1  0.960064  0.960930  0.557875  1
  Cu  Cu103  1  0.707468  0.960930  0.557875  1
  Cu  Cu104  1  0.960064  0.208334  0.557875  1
  Cu  Cu105  1  0.209199  0.710064  0.586647  1
  Cu  Cu106  1  0.042532  0.043398  0.596066  1
  Cu  Cu107  1  0.126795  0.627660  0.635068  1
  Cu  Cu108  1  0.874007  0.627660  0.635068  1
  Cu  Cu109  1  0.126795  0.874873  0.635068  1
  Cu  Cu110  1  0.709199  0.210064  0.586647  1
  Cu  Cu111  1  0.542532  0.543398  0.596066  1
  Cu  Cu112  1  0.626795  0.127660  0.635068  1
  Cu  Cu113  1  0.374007  0.127660  0.635068  1
  Cu  Cu114  1  0.626795  0.374873  0.635068  1
  Cu  Cu115  1  0.209199  0.210064  0.586647  1
  Cu  Cu116  1  0.042532  0.543398  0.596066  1
  Cu  Cu117  1  0.126795  0.127660  0.635068  1
  Cu  Cu118  1  0.874007  0.127660  0.635068  1
  Cu  Cu119  1  0.126795  0.374873  0.635068  1
  Cu  Cu120  1  0.709199  0.710064  0.586647  1
  Cu  Cu121  1  0.542532  0.043398  0.596066  1
  Cu  Cu122  1  0.626795  0.627660  0.635068  1
  Cu  Cu123  1  0.374007  0.627660  0.635068  1
  Cu  Cu124  1  0.626795  0.874873  0.635068  1
  Cu  Cu125  1  0.875865  0.376731  0.663986  1
  Cu  Cu126  1  0.709199  0.710064  0.673281  1
  Cu  Cu127  1  0.794094  0.294959  0.710955  1
  Cu  Cu128  1  0.539409  0.294959  0.710955  1
  Cu  Cu129  1  0.794094  0.540275  0.710955  1
  Cu  Cu130  1  0.375865  0.876731  0.663986  1
  Cu  Cu131  1  0.209199  0.210064  0.673281  1
  Cu  Cu132  1  0.294094  0.794959  0.710955  1
  Cu  Cu133  1  0.039409  0.794959  0.710955  1
  Cu  Cu134  1  0.294094  0.040275  0.710955  1
  Cu  Cu135  1  0.875865  0.876731  0.663986  1
  Cu  Cu136  1  0.709199  0.210064  0.673281  1
  Cu  Cu137  1  0.794094  0.794959  0.710955  1
  Cu  Cu138  1  0.539409  0.794959  0.710955  1
  Cu  Cu139  1  0.794094  0.040275  0.710955  1
  Cu  Cu140  1  0.375865  0.376731  0.663986  1
  Cu  Cu141  1  0.209199  0.710064  0.673281  1
  Cu  Cu142  1  0.294094  0.294959  0.710955  1
  Cu  Cu143  1  0.039409  0.294959  0.710955  1
  Cu  Cu144  1  0.294094  0.540275  0.710955  1
