# generated using pymatgen data_Ti6GaSiP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.87292859 _cell_length_b 6.87292981 _cell_length_c 3.42936648 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998932 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti6GaSiP _chemical_formula_sum 'Ti6 Ga1 Si1 P1' _cell_volume 140.29051762 _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 Ti Ti0 1 0.00081411 0.25557539 0.50000000 1.0 Ti Ti1 1 0.25476129 0.99918589 0.50000000 1.0 Ti Ti2 1 0.74442461 0.74523871 0.50000000 1.0 Ti Ti3 1 0.59950235 0.98964285 0.00000000 1.0 Ti Ti4 1 0.39014050 0.40049765 0.00000000 1.0 Ti Ti5 1 0.01035715 0.60985950 0.00000000 1.0 Ga Ga6 1 0.66666700 0.33333300 0.50000000 1.0 Si Si7 1 0.33333300 0.66666700 0.50000000 1.0 P P8 1 0.00000000 0.00000000 0.00000000 1.0