# generated using pymatgen data_Ti6Tc5MoP6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.35039268 _cell_length_b 7.33923471 _cell_length_c 7.33923424 _cell_angle_alpha 127.09119876 _cell_angle_beta 125.18161032 _cell_angle_gamma 79.63851378 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti6Tc5MoP6 _chemical_formula_sum 'Ti6 Tc5 Mo1 P6' _cell_volume 249.45147154 _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 0.46094937 0.25089347 0.29255098 1.0 Ti Ti1 1 0.53905063 0.83160161 0.78994409 1.0 Ti Ti2 1 0.74522441 0.65145392 0.40463937 1.0 Ti Ti3 1 0.25477559 0.65941496 0.90622851 1.0 Ti Ti4 1 0.05469755 0.84376642 0.29045962 1.0 Ti Ti5 1 0.94530245 0.23576207 0.78906888 1.0 Tc Tc6 1 0.65764497 0.50233834 0.90393325 1.0 Tc Tc7 1 0.34235503 0.24628928 0.84469537 1.0 Tc Tc8 1 0.90019613 0.24499603 0.39966757 1.0 Tc Tc9 1 0.09980387 0.49947144 0.34480090 1.0 Tc Tc10 1 0.00000000 0.99238622 0.99238622 1.0 Mo Mo11 1 0.50000000 0.99242616 0.49242616 1.0 P P12 1 0.83435406 0.57632555 0.74657148 1.0 P P13 1 0.16564594 0.91221442 0.74197050 1.0 P P14 1 0.67056913 0.91147850 0.24457171 1.0 P P15 1 0.32943087 0.57400058 0.24090937 1.0 P P16 1 0.27054187 0.27850295 0.50761694 1.0 P P17 1 0.72945813 0.23707507 0.00796207 1.0