# generated using pymatgen data_Zr6MnZn22Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.69015350 _cell_length_b 8.69015333 _cell_length_c 8.69015360 _cell_angle_alpha 60.00000638 _cell_angle_beta 60.00000703 _cell_angle_gamma 59.99999764 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6MnZn22Si _chemical_formula_sum 'Zr6 Mn1 Zn22 Si1' _cell_volume 464.05277960 _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 0.71089400 0.28910600 0.28910600 1.0 Zr Zr1 1 0.28910600 0.71089400 0.71089400 1.0 Zr Zr2 1 0.28910600 0.71089400 0.28910600 1.0 Zr Zr3 1 0.71089400 0.28910600 0.71089400 1.0 Zr Zr4 1 0.28910600 0.28910600 0.71089400 1.0 Zr Zr5 1 0.71089400 0.71089400 0.28910600 1.0 Mn Mn6 1 0.00000000 0.00000000 0.00000000 1.0 Zn Zn7 1 0.12234576 0.12234576 0.12234576 1.0 Zn Zn8 1 0.87765424 0.87765424 0.87765424 1.0 Zn Zn9 1 0.12234576 0.12234576 0.63296172 1.0 Zn Zn10 1 0.12234576 0.63296172 0.12234576 1.0 Zn Zn11 1 0.87765424 0.87765424 0.36703828 1.0 Zn Zn12 1 0.87765424 0.36703828 0.87765424 1.0 Zn Zn13 1 0.63296172 0.12234576 0.12234576 1.0 Zn Zn14 1 0.36703828 0.87765424 0.87765424 1.0 Zn Zn15 1 0.50000000 0.00000000 0.00000000 1.0 Zn Zn16 1 0.00000000 0.50000000 0.50000000 1.0 Zn Zn17 1 0.00000000 0.50000000 0.00000000 1.0 Zn Zn18 1 0.50000000 0.00000000 0.50000000 1.0 Zn Zn19 1 0.00000000 0.00000000 0.50000000 1.0 Zn Zn20 1 0.50000000 0.50000000 0.00000000 1.0 Zn Zn21 1 0.33379939 0.33379939 0.33379939 1.0 Zn Zn22 1 0.66620061 0.66620061 0.66620061 1.0 Zn Zn23 1 0.33379939 0.33379939 0.99860183 1.0 Zn Zn24 1 0.33379939 0.99860183 0.33379939 1.0 Zn Zn25 1 0.66620061 0.66620061 0.00139817 1.0 Zn Zn26 1 0.66620061 0.00139817 0.66620061 1.0 Zn Zn27 1 0.99860183 0.33379939 0.33379939 1.0 Zn Zn28 1 0.00139817 0.66620061 0.66620061 1.0 Si Si29 1 0.50000000 0.50000000 0.50000000 1.0