# generated using pymatgen data_Zr6Zn21Ni2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.69064480 _cell_length_b 8.62369552 _cell_length_c 8.62369533 _cell_angle_alpha 60.01335636 _cell_angle_beta 59.74285537 _cell_angle_gamma 59.74285125 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Zn21Ni2Ge _chemical_formula_sum 'Zr6 Zn21 Ni2 Ge1' _cell_volume 455.26924394 _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 0.71567406 0.28432594 0.28432594 1.0 Zr Zr1 1 0.28432594 0.71567406 0.71567406 1.0 Zr Zr2 1 0.28635606 0.71072324 0.28927676 1.0 Zr Zr3 1 0.71364394 0.28927676 0.71072324 1.0 Zr Zr4 1 0.28635606 0.28927676 0.71072324 1.0 Zr Zr5 1 0.71364394 0.71072324 0.28927676 1.0 Zn Zn6 1 0.11989308 0.11912454 0.11912454 1.0 Zn Zn7 1 0.88010692 0.88087546 0.88087546 1.0 Zn Zn8 1 0.11533109 0.13117456 0.63816425 1.0 Zn Zn9 1 0.11533109 0.63816425 0.13117456 1.0 Zn Zn10 1 0.88466891 0.86882544 0.36183575 1.0 Zn Zn11 1 0.88466891 0.36183575 0.86882544 1.0 Zn Zn12 1 0.64185884 0.11912454 0.11912454 1.0 Zn Zn13 1 0.35814116 0.88087546 0.88087546 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 0.32691233 0.33689409 0.33689409 1.0 Zn Zn20 1 0.67308767 0.66310591 0.66310591 1.0 Zn Zn21 1 0.33249616 0.33452070 0.00048798 1.0 Zn Zn22 1 0.33249616 0.00048798 0.33452070 1.0 Zn Zn23 1 0.66750384 0.66547930 0.99951202 1.0 Zn Zn24 1 0.66750384 0.99951202 0.66547930 1.0 Zn Zn25 1 0.99929949 0.33689409 0.33689409 1.0 Zn Zn26 1 0.00070051 0.66310591 0.66310591 1.0 Ni Ni27 1 0.00000000 0.50000000 0.50000000 1.0 Ni Ni28 1 0.00000000 0.00000000 0.00000000 1.0 Ge Ge29 1 0.50000000 0.50000000 0.50000000 1.0