# generated using pymatgen data_MgTiCu3O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.16724220 _cell_length_b 6.16724282 _cell_length_c 15.93011753 _cell_angle_alpha 26.66271053 _cell_angle_beta 26.66270597 _cell_angle_gamma 28.11392914 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTiCu3O4 _chemical_formula_sum 'Mg1 Ti1 Cu3 O4' _cell_volume 111.05696551 _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 0.03240819 0.03240819 0.25757117 1.0 Ti Ti1 1 0.48572240 0.48572240 0.83541840 1.0 Cu Cu2 1 0.98661682 0.98661682 0.04230568 1.0 Cu Cu3 1 0.00671322 0.00671322 0.63529276 1.0 Cu Cu4 1 0.64918676 0.64918676 0.40492817 1.0 O O5 1 0.06869017 0.06869017 0.09999170 1.0 O O6 1 0.08242342 0.08242342 0.69757765 1.0 O O7 1 0.85248033 0.85248033 0.63263028 1.0 O O8 1 0.83575569 0.83575569 0.03620919 1.0