# generated using pymatgen data_Mg6TiCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84651800 _cell_length_b 6.14810200 _cell_length_c 10.74756200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6TiCu _chemical_formula_sum 'Mg12 Ti2 Cu2' _cell_volume 320.24389053 _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 0.50000000 0.25354600 0.41801500 1.0 Mg Mg1 1 0.50000000 0.74645400 0.41801500 1.0 Mg Mg2 1 0.00000000 0.75309000 0.08788700 1.0 Mg Mg3 1 0.00000000 0.24691000 0.08788700 1.0 Mg Mg4 1 0.00000000 0.00000000 0.32623500 1.0 Mg Mg5 1 0.00000000 0.50000000 0.32889100 1.0 Mg Mg6 1 0.50000000 0.75354600 0.91801500 1.0 Mg Mg7 1 0.50000000 0.24645400 0.91801500 1.0 Mg Mg8 1 0.00000000 0.25309000 0.58788700 1.0 Mg Mg9 1 0.00000000 0.74691000 0.58788700 1.0 Mg Mg10 1 0.00000000 0.50000000 0.82623500 1.0 Mg Mg11 1 0.00000000 0.00000000 0.82889100 1.0 Ti Ti12 1 0.50000000 0.50000000 0.16809000 1.0 Ti Ti13 1 0.50000000 0.00000000 0.66809000 1.0 Cu Cu14 1 0.50000000 0.00000000 0.16497500 1.0 Cu Cu15 1 0.50000000 0.50000000 0.66497500 1.0