# generated using pymatgen data_BaMg6Ti _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.68315971 _cell_length_b 6.68315971 _cell_length_c 5.28779800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999711 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMg6Ti _chemical_formula_sum 'Ba1 Mg6 Ti1' _cell_volume 204.53572748 _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 Ba Ba0 1 0.00000000 0.00000000 0.00000000 1.0 Mg Mg1 1 0.17702500 0.35404900 0.50000000 1.0 Mg Mg2 1 0.64595100 0.82297500 0.50000000 1.0 Mg Mg3 1 0.17702500 0.82297500 0.50000000 1.0 Mg Mg4 1 0.51403100 0.02806200 0.00000000 1.0 Mg Mg5 1 0.97193800 0.48596900 0.00000000 1.0 Mg Mg6 1 0.51403100 0.48596900 0.00000000 1.0 Ti Ti7 1 0.66666700 0.33333300 0.50000000 1.0