# generated using pymatgen data_Mg6ZrSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04857700 _cell_length_b 6.53837300 _cell_length_c 10.95964700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6ZrSb _chemical_formula_sum 'Mg12 Zr2 Sb2' _cell_volume 361.77224347 _cell_formula_units_Z 2 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 Mg Mg0 1 0.00000000 0.24274500 0.08083200 1.0 Mg Mg1 1 0.00000000 0.75725500 0.08083200 1.0 Mg Mg2 1 0.00000000 0.50000000 0.83524400 1.0 Mg Mg3 1 0.50000000 0.25425300 0.91751700 1.0 Mg Mg4 1 0.50000000 0.74574700 0.91751700 1.0 Mg Mg5 1 0.50000000 0.50000000 0.66695200 1.0 Mg Mg6 1 0.00000000 0.74274500 0.58083200 1.0 Mg Mg7 1 0.00000000 0.25725500 0.58083200 1.0 Mg Mg8 1 0.00000000 0.00000000 0.33524400 1.0 Mg Mg9 1 0.50000000 0.75425300 0.41751700 1.0 Mg Mg10 1 0.50000000 0.24574700 0.41751700 1.0 Mg Mg11 1 0.50000000 0.00000000 0.16695200 1.0 Zr Zr12 1 0.00000000 0.50000000 0.33223600 1.0 Zr Zr13 1 0.00000000 0.00000000 0.83223600 1.0 Sb Sb14 1 0.50000000 0.50000000 0.16887000 1.0 Sb Sb15 1 0.50000000 0.00000000 0.66887000 1.0