# generated using pymatgen data_Zr6Fe16Si7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.09061255 _cell_length_b 8.09061255 _cell_length_c 8.09061255 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Fe16Si7 _chemical_formula_sum 'Zr6 Fe16 Si7' _cell_volume 374.48050523 _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 0.70797700 0.70797700 0.29202300 1.0 Zr Zr1 1 0.29202300 0.70797700 0.29202300 1.0 Zr Zr2 1 0.70797700 0.29202300 0.29202300 1.0 Zr Zr3 1 0.29202300 0.29202300 0.70797700 1.0 Zr Zr4 1 0.70797700 0.29202300 0.70797700 1.0 Zr Zr5 1 0.29202300 0.70797700 0.70797700 1.0 Fe Fe6 1 0.87774500 0.87774500 0.36676600 1.0 Fe Fe7 1 0.87774500 0.36676600 0.87774500 1.0 Fe Fe8 1 0.36676600 0.87774500 0.87774500 1.0 Fe Fe9 1 0.87774500 0.87774500 0.87774500 1.0 Fe Fe10 1 0.12225500 0.12225500 0.63323400 1.0 Fe Fe11 1 0.12225500 0.63323400 0.12225500 1.0 Fe Fe12 1 0.63323400 0.12225500 0.12225500 1.0 Fe Fe13 1 0.12225500 0.12225500 0.12225500 1.0 Fe Fe14 1 0.67625900 0.67625900 0.97122300 1.0 Fe Fe15 1 0.67625900 0.97122300 0.67625900 1.0 Fe Fe16 1 0.97122300 0.67625900 0.67625900 1.0 Fe Fe17 1 0.67625900 0.67625900 0.67625900 1.0 Fe Fe18 1 0.32374100 0.32374100 0.02877700 1.0 Fe Fe19 1 0.32374100 0.02877700 0.32374100 1.0 Fe Fe20 1 0.02877700 0.32374100 0.32374100 1.0 Fe Fe21 1 0.32374100 0.32374100 0.32374100 1.0 Si Si22 1 0.00000000 0.00000000 0.00000000 1.0 Si Si23 1 0.00000000 0.00000000 0.50000000 1.0 Si Si24 1 0.50000000 0.00000000 0.50000000 1.0 Si Si25 1 0.00000000 0.50000000 0.50000000 1.0 Si Si26 1 0.50000000 0.50000000 0.00000000 1.0 Si Si27 1 0.00000000 0.50000000 0.00000000 1.0 Si Si28 1 0.50000000 0.00000000 0.00000000 1.0