# generated using pymatgen data_Zr14Cu51 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.26740478 _cell_length_b 11.26740478 _cell_length_c 8.33736500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000458 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr14Cu51 _chemical_formula_sum 'Zr14 Cu51' _cell_volume 916.65776064 _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 0.33333300 0.66666700 0.68864900 1.0 Zr Zr1 1 0.33333300 0.66666700 0.31135100 1.0 Zr Zr2 1 0.44748100 0.39635100 0.00000000 1.0 Zr Zr3 1 0.94887000 0.55251900 0.00000000 1.0 Zr Zr4 1 0.60364900 0.05113000 0.00000000 1.0 Zr Zr5 1 0.21847100 0.94413300 0.00000000 1.0 Zr Zr6 1 0.72566100 0.78152900 0.00000000 1.0 Zr Zr7 1 0.05586700 0.27433900 0.00000000 1.0 Zr Zr8 1 0.80291200 0.99336100 0.50000000 1.0 Zr Zr9 1 0.19044900 0.19708800 0.50000000 1.0 Zr Zr10 1 0.00663900 0.80955100 0.50000000 1.0 Zr Zr11 1 0.86041800 0.33779700 0.50000000 1.0 Zr Zr12 1 0.47737900 0.13958200 0.50000000 1.0 Zr Zr13 1 0.66220300 0.52262100 0.50000000 1.0 Cu Cu14 1 0.39095900 0.48504200 0.50000000 1.0 Cu Cu15 1 0.09408300 0.60904100 0.50000000 1.0 Cu Cu16 1 0.51495800 0.90591700 0.50000000 1.0 Cu Cu17 1 0.27357100 0.84769400 0.50000000 1.0 Cu Cu18 1 0.57412300 0.72642900 0.50000000 1.0 Cu Cu19 1 0.15230600 0.42587700 0.50000000 1.0 Cu Cu20 1 0.52881900 0.59108300 0.75395100 1.0 Cu Cu21 1 0.06226400 0.47118100 0.75395100 1.0 Cu Cu22 1 0.40891700 0.93773600 0.75395100 1.0 Cu Cu23 1 0.14479500 0.73892200 0.76802900 1.0 Cu Cu24 1 0.59412700 0.85520500 0.76802900 1.0 Cu Cu25 1 0.26107800 0.40587300 0.76802900 1.0 Cu Cu26 1 0.14479500 0.73892200 0.23197100 1.0 Cu Cu27 1 0.59412700 0.85520500 0.23197100 1.0 Cu Cu28 1 0.26107800 0.40587300 0.23197100 1.0 Cu Cu29 1 0.52881900 0.59108300 0.24604900 1.0 Cu Cu30 1 0.06226400 0.47118100 0.24604900 1.0 Cu Cu31 1 0.40891700 0.93773600 0.24604900 1.0 Cu Cu32 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu33 1 0.66666700 0.33333300 0.00000000 1.0 Cu Cu34 1 0.43681000 0.33375400 0.67104200 1.0 Cu Cu35 1 0.89694400 0.56319000 0.67104200 1.0 Cu Cu36 1 0.66624600 0.10305600 0.67104200 1.0 Cu Cu37 1 0.22863300 0.00094400 0.67055800 1.0 Cu Cu38 1 0.77231100 0.77136700 0.67055800 1.0 Cu Cu39 1 0.99905600 0.22768900 0.67055800 1.0 Cu Cu40 1 0.22863300 0.00094400 0.32944200 1.0 Cu Cu41 1 0.77231100 0.77136700 0.32944200 1.0 Cu Cu42 1 0.99905600 0.22768900 0.32944200 1.0 Cu Cu43 1 0.43681000 0.33375400 0.32895800 1.0 Cu Cu44 1 0.89694400 0.56319000 0.32895800 1.0 Cu Cu45 1 0.66624600 0.10305600 0.32895800 1.0 Cu Cu46 1 0.00000000 0.00000000 0.70719300 1.0 Cu Cu47 1 0.66666700 0.33333300 0.70760000 1.0 Cu Cu48 1 0.66666700 0.33333300 0.29240000 1.0 Cu Cu49 1 0.00000000 0.00000000 0.29280700 1.0 Cu Cu50 1 0.82640200 0.04456400 0.84710100 1.0 Cu Cu51 1 0.21816300 0.17359800 0.84710100 1.0 Cu Cu52 1 0.95543600 0.78183700 0.84710100 1.0 Cu Cu53 1 0.83612900 0.28525300 0.84778600 1.0 Cu Cu54 1 0.44912400 0.16387100 0.84778600 1.0 Cu Cu55 1 0.71474700 0.55087600 0.84778600 1.0 Cu Cu56 1 0.83612900 0.28525300 0.15221400 1.0 Cu Cu57 1 0.44912400 0.16387100 0.15221400 1.0 Cu Cu58 1 0.71474700 0.55087600 0.15221400 1.0 Cu Cu59 1 0.82640200 0.04456400 0.15289900 1.0 Cu Cu60 1 0.21816300 0.17359800 0.15289900 1.0 Cu Cu61 1 0.95543600 0.78183700 0.15289900 1.0 Cu Cu62 1 0.44909700 0.64905200 0.00000000 1.0 Cu Cu63 1 0.19995500 0.55090300 0.00000000 1.0 Cu Cu64 1 0.35094800 0.80004500 0.00000000 1.0