# generated using pymatgen
data_ZrCu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.77335304
_cell_length_b   9.77335304
_cell_length_c   48.04473537
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu5
_chemical_formula_sum   'Zr20 Cu100'
_cell_volume   3974.32712522
_cell_formula_units_Z   20
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  0.585978  0.543430  0.305022  1
  Zr  Zr2  1  0.585978  0.043430  0.305022  1
  Zr  Zr3  1  0.085978  0.043430  0.305022  1
  Zr  Zr4  1  0.085978  0.543430  0.305022  1
  Zr  Zr5  1  0.919311  0.210096  0.385146  1
  Zr  Zr6  1  0.919311  0.710096  0.385146  1
  Zr  Zr7  1  0.419311  0.710096  0.385146  1
  Zr  Zr8  1  0.419311  0.210096  0.385146  1
  Zr  Zr9  1  0.252645  0.876763  0.468811  1
  Zr  Zr10  1  0.252645  0.376763  0.468811  1
  Zr  Zr11  1  0.752645  0.376763  0.468811  1
  Zr  Zr12  1  0.752645  0.876763  0.468811  1
  Zr  Zr13  1  0.585978  0.543430  0.552289  1
  Zr  Zr14  1  0.585978  0.043430  0.552289  1
  Zr  Zr15  1  0.085978  0.043430  0.552289  1
  Zr  Zr16  1  0.085978  0.543430  0.552289  1
  Zr  Zr17  1  0.919311  0.210096  0.636262  1
  Zr  Zr18  1  0.919311  0.710096  0.636262  1
  Zr  Zr19  1  0.419311  0.710096  0.636262  1
  Zr  Zr20  1  0.419311  0.210096  0.636262  1
  Cu  Cu21  1  0.919311  0.210096  0.325929  1
  Cu  Cu22  1  0.170853  0.458555  0.353255  1
  Cu  Cu23  1  0.252645  0.376763  0.308496  1
  Cu  Cu24  1  0.670853  0.213180  0.353255  1
  Cu  Cu25  1  0.916228  0.458555  0.353255  1
  Cu  Cu26  1  0.919311  0.710096  0.325929  1
  Cu  Cu27  1  0.170853  0.958555  0.353255  1
  Cu  Cu28  1  0.252645  0.876763  0.308496  1
  Cu  Cu29  1  0.670853  0.713180  0.353255  1
  Cu  Cu30  1  0.916228  0.958555  0.353255  1
  Cu  Cu31  1  0.419311  0.710096  0.325929  1
  Cu  Cu32  1  0.670853  0.958555  0.353255  1
  Cu  Cu33  1  0.752645  0.876763  0.308496  1
  Cu  Cu34  1  0.170853  0.713180  0.353255  1
  Cu  Cu35  1  0.416228  0.958555  0.353255  1
  Cu  Cu36  1  0.419311  0.210096  0.325929  1
  Cu  Cu37  1  0.670853  0.458555  0.353255  1
  Cu  Cu38  1  0.752645  0.376763  0.308496  1
  Cu  Cu39  1  0.170853  0.213180  0.353255  1
  Cu  Cu40  1  0.416228  0.458555  0.353255  1
  Cu  Cu41  1  0.252645  0.876763  0.406844  1
  Cu  Cu42  1  0.503090  0.126318  0.437361  1
  Cu  Cu43  1  0.585978  0.043430  0.395699  1
  Cu  Cu44  1  0.003090  0.877653  0.437361  1
  Cu  Cu45  1  0.251755  0.126318  0.437361  1
  Cu  Cu46  1  0.252645  0.376763  0.406844  1
  Cu  Cu47  1  0.503090  0.626318  0.437361  1
  Cu  Cu48  1  0.585978  0.543430  0.395699  1
  Cu  Cu49  1  0.003090  0.377653  0.437361  1
  Cu  Cu50  1  0.251755  0.626318  0.437361  1
  Cu  Cu51  1  0.752645  0.376763  0.406844  1
  Cu  Cu52  1  0.003090  0.626318  0.437361  1
  Cu  Cu53  1  0.085978  0.543430  0.395699  1
  Cu  Cu54  1  0.503090  0.377653  0.437361  1
  Cu  Cu55  1  0.751755  0.626318  0.437361  1
  Cu  Cu56  1  0.752645  0.876763  0.406844  1
  Cu  Cu57  1  0.003090  0.126318  0.437361  1
  Cu  Cu58  1  0.085978  0.043430  0.395699  1
  Cu  Cu59  1  0.503090  0.877653  0.437361  1
  Cu  Cu60  1  0.751755  0.126318  0.437361  1
  Cu  Cu61  1  0.585978  0.543430  0.489702  1
  Cu  Cu62  1  0.836435  0.792973  0.521005  1
  Cu  Cu63  1  0.919311  0.710096  0.479429  1
  Cu  Cu64  1  0.336435  0.544344  0.521005  1
  Cu  Cu65  1  0.585064  0.792973  0.521005  1
  Cu  Cu66  1  0.585978  0.043430  0.489702  1
  Cu  Cu67  1  0.836435  0.292973  0.521005  1
  Cu  Cu68  1  0.919311  0.210096  0.479429  1
  Cu  Cu69  1  0.336435  0.044344  0.521005  1
  Cu  Cu70  1  0.585064  0.292973  0.521005  1
  Cu  Cu71  1  0.085978  0.043430  0.489702  1
  Cu  Cu72  1  0.336435  0.292973  0.521005  1
  Cu  Cu73  1  0.419311  0.210096  0.479429  1
  Cu  Cu74  1  0.836435  0.044344  0.521005  1
  Cu  Cu75  1  0.085064  0.292973  0.521005  1
  Cu  Cu76  1  0.085978  0.543430  0.489702  1
  Cu  Cu77  1  0.336435  0.792973  0.521005  1
  Cu  Cu78  1  0.419311  0.710096  0.479429  1
  Cu  Cu79  1  0.836435  0.544344  0.521005  1
  Cu  Cu80  1  0.085064  0.792973  0.521005  1
  Cu  Cu81  1  0.919311  0.210096  0.573281  1
  Cu  Cu82  1  0.169670  0.459738  0.604632  1
  Cu  Cu83  1  0.252645  0.376763  0.563065  1
  Cu  Cu84  1  0.669670  0.210814  0.604632  1
  Cu  Cu85  1  0.918593  0.459738  0.604632  1
  Cu  Cu86  1  0.919311  0.710096  0.573281  1
  Cu  Cu87  1  0.169670  0.959738  0.604632  1
  Cu  Cu88  1  0.252645  0.876763  0.563065  1
  Cu  Cu89  1  0.669670  0.710814  0.604632  1
  Cu  Cu90  1  0.918593  0.959738  0.604632  1
  Cu  Cu91  1  0.419311  0.710096  0.573281  1
  Cu  Cu92  1  0.669670  0.959738  0.604632  1
  Cu  Cu93  1  0.752645  0.876763  0.563065  1
  Cu  Cu94  1  0.169670  0.710814  0.604632  1
  Cu  Cu95  1  0.418593  0.959738  0.604632  1
  Cu  Cu96  1  0.419311  0.210096  0.573281  1
  Cu  Cu97  1  0.669670  0.459738  0.604632  1
  Cu  Cu98  1  0.752645  0.376763  0.563065  1
  Cu  Cu99  1  0.169670  0.210814  0.604632  1
  Cu  Cu100  1  0.418593  0.459738  0.604632  1
  Cu  Cu101  1  0.252645  0.876763  0.655741  1
  Cu  Cu102  1  0.501628  0.127780  0.686619  1
  Cu  Cu103  1  0.585978  0.043430  0.646779  1
  Cu  Cu104  1  1.001628  0.874729  0.686619  1
  Cu  Cu105  1  0.254679  0.127780  0.686619  1
  Cu  Cu106  1  0.252645  0.376763  0.655741  1
  Cu  Cu107  1  0.501628  0.627780  0.686619  1
  Cu  Cu108  1  0.585978  0.543430  0.646779  1
  Cu  Cu109  1  1.001628  0.374729  0.686619  1
  Cu  Cu110  1  0.254679  0.627780  0.686619  1
  Cu  Cu111  1  0.752645  0.376763  0.655741  1
  Cu  Cu112  1  1.001628  0.627780  0.686619  1
  Cu  Cu113  1  0.085978  0.543430  0.646779  1
  Cu  Cu114  1  0.501628  0.374729  0.686619  1
  Cu  Cu115  1  0.754679  0.627780  0.686619  1
  Cu  Cu116  1  0.752645  0.876763  0.655741  1
  Cu  Cu117  1  1.001628  0.127780  0.686619  1
  Cu  Cu118  1  0.085978  0.043430  0.646779  1
  Cu  Cu119  1  0.501628  0.874729  0.686619  1
  Cu  Cu120  1  0.754679  0.127780  0.686619  1
