# generated using pymatgen data_MgTi2NbPd12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55499171 _cell_length_b 5.55499181 _cell_length_c 8.99988223 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999936 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTi2NbPd12 _chemical_formula_sum 'Mg1 Ti2 Nb1 Pd12' _cell_volume 240.51064267 _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 Mg Mg0 1 0.33333300 0.66666700 0.24999480 1.0 Ti Ti1 1 0.00000000 0.00000000 0.00267063 1.0 Ti Ti2 1 0.66666700 0.33333300 0.75344081 1.0 Nb Nb3 1 0.00000000 0.00000000 0.49536958 1.0 Pd Pd4 1 0.50182299 0.49817701 0.50428337 1.0 Pd Pd5 1 0.50182299 0.00364598 0.50428337 1.0 Pd Pd6 1 0.99635402 0.49817701 0.50428337 1.0 Pd Pd7 1 0.50171801 0.49828199 0.99580638 1.0 Pd Pd8 1 0.50171801 0.00343601 0.99580638 1.0 Pd Pd9 1 0.99656399 0.49828199 0.99580638 1.0 Pd Pd10 1 0.83254546 0.66509192 0.24899565 1.0 Pd Pd11 1 0.33490808 0.16745454 0.24899565 1.0 Pd Pd12 1 0.83254546 0.16745454 0.24899565 1.0 Pd Pd13 1 0.16623005 0.33245910 0.75042300 1.0 Pd Pd14 1 0.66754090 0.83376995 0.75042300 1.0 Pd Pd15 1 0.16623005 0.83376995 0.75042300 1.0