# generated using pymatgen data_ZrMn5Si7Ni16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.83101630 _cell_length_b 7.86143267 _cell_length_c 7.83101683 _cell_angle_alpha 59.87143431 _cell_angle_beta 60.25713533 _cell_angle_gamma 59.87143278 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrMn5Si7Ni16 _chemical_formula_sum 'Zr1 Mn5 Si7 Ni16' _cell_volume 340.88652930 _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 0.30868969 0.69131031 0.30868969 1.0 Mn Mn1 1 0.30295611 0.69704389 0.69931842 1.0 Mn Mn2 1 0.69931842 0.30068158 0.30295611 1.0 Mn Mn3 1 0.69931842 0.69704389 0.30295611 1.0 Mn Mn4 1 0.30295611 0.30068158 0.69931842 1.0 Mn Mn5 1 0.68920643 0.31079357 0.68920643 1.0 Si Si6 1 0.00150921 0.99849079 0.00150921 1.0 Si Si7 1 0.99973728 0.50026272 0.99973728 1.0 Si Si8 1 0.50485143 0.00469990 0.99530010 1.0 Si Si9 1 0.99530010 0.49514857 0.50485143 1.0 Si Si10 1 0.49973728 0.00026272 0.49973728 1.0 Si Si11 1 0.99530010 0.00469990 0.50485143 1.0 Si Si12 1 0.50485143 0.49514857 0.99530010 1.0 Ni Ni13 1 0.33234579 0.33107013 0.33234579 1.0 Ni Ni14 1 0.99576170 0.66765421 0.66892987 1.0 Ni Ni15 1 0.66636263 0.99928100 0.66636263 1.0 Ni Ni16 1 0.66892987 0.66765421 0.99576170 1.0 Ni Ni17 1 0.33234579 0.00423830 0.33234579 1.0 Ni Ni18 1 0.33200426 0.33363737 0.00071900 1.0 Ni Ni19 1 0.00071900 0.33363737 0.33200426 1.0 Ni Ni20 1 0.66636263 0.66799574 0.66636263 1.0 Ni Ni21 1 0.11774235 0.11871814 0.11774235 1.0 Ni Ni22 1 0.35420383 0.88225765 0.88128186 1.0 Ni Ni23 1 0.88261623 0.35238437 0.88261623 1.0 Ni Ni24 1 0.88128186 0.88225765 0.35420383 1.0 Ni Ni25 1 0.11774235 0.64579617 0.11774235 1.0 Ni Ni26 1 0.11761783 0.11738377 0.64761563 1.0 Ni Ni27 1 0.64761563 0.11738377 0.11761783 1.0 Ni Ni28 1 0.88261623 0.88238217 0.88261623 1.0