# generated using pymatgen data_Th14Cu51 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.85124145 _cell_length_b 11.85124145 _cell_length_c 8.86243500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999691 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th14Cu51 _chemical_formula_sum 'Th14 Cu51' _cell_volume 1077.98173031 _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 Th Th0 1 0.00000000 0.00000000 0.69629600 1.0 Th Th1 1 0.00000000 0.00000000 0.30370400 1.0 Th Th2 1 0.73286300 0.62376200 0.00000000 1.0 Th Th3 1 0.89090000 0.26713700 0.00000000 1.0 Th Th4 1 0.37623800 0.10910000 0.00000000 1.0 Th Th5 1 0.28510300 0.39851000 0.00000000 1.0 Th Th6 1 0.11340700 0.71489700 0.00000000 1.0 Th Th7 1 0.60149000 0.88659300 0.00000000 1.0 Th Th8 1 0.32577100 0.85307800 0.50000000 1.0 Th Th9 1 0.52730700 0.67422900 0.50000000 1.0 Th Th10 1 0.14692200 0.47269300 0.50000000 1.0 Th Th11 1 0.67253400 0.14749300 0.50000000 1.0 Th Th12 1 0.47495900 0.32746600 0.50000000 1.0 Th Th13 1 0.85250700 0.52504100 0.50000000 1.0 Cu Cu14 1 0.37883100 0.88311800 0.84325400 1.0 Cu Cu15 1 0.50428700 0.62116900 0.84325400 1.0 Cu Cu16 1 0.11688200 0.49571300 0.84325400 1.0 Cu Cu17 1 0.61802000 0.11981200 0.84626900 1.0 Cu Cu18 1 0.50179200 0.38198000 0.84626900 1.0 Cu Cu19 1 0.88018800 0.49820800 0.84626900 1.0 Cu Cu20 1 0.61802000 0.11981200 0.15373100 1.0 Cu Cu21 1 0.50179200 0.38198000 0.15373100 1.0 Cu Cu22 1 0.88018800 0.49820800 0.15373100 1.0 Cu Cu23 1 0.37883100 0.88311800 0.15674600 1.0 Cu Cu24 1 0.50428700 0.62116900 0.15674600 1.0 Cu Cu25 1 0.11688200 0.49571300 0.15674600 1.0 Cu Cu26 1 0.66730200 0.56671700 0.67658600 1.0 Cu Cu27 1 0.89941500 0.33269800 0.67658600 1.0 Cu Cu28 1 0.43328300 0.10058500 0.67658600 1.0 Cu Cu29 1 0.33583300 0.43619100 0.67393000 1.0 Cu Cu30 1 0.10035700 0.66416700 0.67393000 1.0 Cu Cu31 1 0.56380900 0.89964300 0.67393000 1.0 Cu Cu32 1 0.33583300 0.43619100 0.32607000 1.0 Cu Cu33 1 0.10035700 0.66416700 0.32607000 1.0 Cu Cu34 1 0.56380900 0.89964300 0.32607000 1.0 Cu Cu35 1 0.66730200 0.56671700 0.32341400 1.0 Cu Cu36 1 0.89941500 0.33269800 0.32341400 1.0 Cu Cu37 1 0.43328300 0.10058500 0.32341400 1.0 Cu Cu38 1 0.33333300 0.66666700 0.00000000 1.0 Cu Cu39 1 0.66666700 0.33333300 0.00000000 1.0 Cu Cu40 1 0.33333300 0.66666700 0.72501100 1.0 Cu Cu41 1 0.66666700 0.33333300 0.72553500 1.0 Cu Cu42 1 0.66666700 0.33333300 0.27446500 1.0 Cu Cu43 1 0.33333300 0.66666700 0.27498900 1.0 Cu Cu44 1 0.19353300 0.92467000 0.75573100 1.0 Cu Cu45 1 0.73113700 0.80646700 0.75573100 1.0 Cu Cu46 1 0.07533000 0.26886300 0.75573100 1.0 Cu Cu47 1 0.80021100 0.06950800 0.75424800 1.0 Cu Cu48 1 0.26929700 0.19978900 0.75424800 1.0 Cu Cu49 1 0.93049200 0.73070300 0.75424800 1.0 Cu Cu50 1 0.80021100 0.06950800 0.24575200 1.0 Cu Cu51 1 0.26929700 0.19978900 0.24575200 1.0 Cu Cu52 1 0.93049200 0.73070300 0.24575200 1.0 Cu Cu53 1 0.19353300 0.92467000 0.24426900 1.0 Cu Cu54 1 0.73113700 0.80646700 0.24426900 1.0 Cu Cu55 1 0.07533000 0.26886300 0.24426900 1.0 Cu Cu56 1 0.81627700 0.75778400 0.50000000 1.0 Cu Cu57 1 0.94150700 0.18372300 0.50000000 1.0 Cu Cu58 1 0.24221600 0.05849300 0.50000000 1.0 Cu Cu59 1 0.18445000 0.24278600 0.50000000 1.0 Cu Cu60 1 0.05833600 0.81555000 0.50000000 1.0 Cu Cu61 1 0.75721400 0.94166400 0.50000000 1.0 Cu Cu62 1 0.02791500 0.89439400 0.00000000 1.0 Cu Cu63 1 0.86647900 0.97208500 0.00000000 1.0 Cu Cu64 1 0.10560600 0.13352100 0.00000000 1.0