# generated using pymatgen data_Zr6Zn21SiNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.67763952 _cell_length_b 8.61713801 _cell_length_c 8.61713886 _cell_angle_alpha 59.91361224 _cell_angle_beta 59.76747202 _cell_angle_gamma 59.76747212 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Zn21SiNi2 _chemical_formula_sum 'Zr6 Zn21 Si1 Ni2' _cell_volume 453.72743615 _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 0.71211838 0.28788162 0.28788162 1.0 Zr Zr1 1 0.28788162 0.71211838 0.71211838 1.0 Zr Zr2 1 0.28891649 0.70755968 0.29244032 1.0 Zr Zr3 1 0.71108351 0.29244032 0.70755968 1.0 Zr Zr4 1 0.28891649 0.29244032 0.70755968 1.0 Zr Zr5 1 0.71108351 0.70755968 0.29244032 1.0 Zn Zn6 1 0.11896229 0.11877485 0.11877485 1.0 Zn Zn7 1 0.88103771 0.88122515 0.88122515 1.0 Zn Zn8 1 0.11498534 0.13014154 0.63988878 1.0 Zn Zn9 1 0.11498534 0.63988878 0.13014154 1.0 Zn Zn10 1 0.88501466 0.86985846 0.36011122 1.0 Zn Zn11 1 0.88501466 0.36011122 0.86985846 1.0 Zn Zn12 1 0.64349002 0.11877485 0.11877485 1.0 Zn Zn13 1 0.35650998 0.88122515 0.88122515 1.0 Zn Zn14 1 0.50000000 0.00000000 0.00000000 1.0 Zn Zn15 1 0.00000000 0.50000000 0.00000000 1.0 Zn Zn16 1 0.50000000 0.00000000 0.50000000 1.0 Zn Zn17 1 0.00000000 0.00000000 0.50000000 1.0 Zn Zn18 1 0.50000000 0.50000000 0.00000000 1.0 Zn Zn19 1 0.32628258 0.33661751 0.33661751 1.0 Zn Zn20 1 0.67371742 0.66338249 0.66338249 1.0 Zn Zn21 1 0.33260914 0.33399213 0.00079059 1.0 Zn Zn22 1 0.33260914 0.00079059 0.33399213 1.0 Zn Zn23 1 0.66739086 0.66600787 0.99920941 1.0 Zn Zn24 1 0.66739086 0.99920941 0.66600787 1.0 Zn Zn25 1 0.00048339 0.33661751 0.33661751 1.0 Zn Zn26 1 0.99951661 0.66338249 0.66338249 1.0 Si Si27 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni28 1 0.00000000 0.50000000 0.50000000 1.0 Ni Ni29 1 0.00000000 0.00000000 0.00000000 1.0