# generated using pymatgen data_Ti20Ga5As3P4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.63220261 _cell_length_b 7.73050265 _cell_length_c 9.78136845 _cell_angle_alpha 90.04345795 _cell_angle_beta 89.93050455 _cell_angle_gamma 90.04528076 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti20Ga5As3P4 _chemical_formula_sum 'Ti20 Ga5 As3 P4' _cell_volume 501.49263279 _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 0.81706869 0.55550085 0.05885718 1.0 Ti Ti1 1 0.68224285 0.94405743 0.55781678 1.0 Ti Ti2 1 0.18410135 0.05483696 0.94262153 1.0 Ti Ti3 1 0.31764643 0.44285854 0.43898655 1.0 Ti Ti4 1 0.18268835 0.44611924 0.93935822 1.0 Ti Ti5 1 0.32063595 0.05303235 0.43676322 1.0 Ti Ti6 1 0.82027315 0.94672903 0.06315815 1.0 Ti Ti7 1 0.67982235 0.55390906 0.56222235 1.0 Ti Ti8 1 0.17013559 0.75609207 0.22047320 1.0 Ti Ti9 1 0.32947215 0.74631728 0.72291588 1.0 Ti Ti10 1 0.82725918 0.25396676 0.77805273 1.0 Ti Ti11 1 0.67070247 0.24418145 0.27860997 1.0 Ti Ti12 1 0.47631573 0.75026189 0.00232051 1.0 Ti Ti13 1 0.02283595 0.75072811 0.50298835 1.0 Ti Ti14 1 0.52593145 0.25126580 0.99754024 1.0 Ti Ti15 1 0.97727177 0.24791861 0.49851122 1.0 Ti Ti16 1 0.65486521 0.75040621 0.29208123 1.0 Ti Ti17 1 0.84486196 0.75019672 0.79097223 1.0 Ti Ti18 1 0.34203888 0.25246497 0.70823601 1.0 Ti Ti19 1 0.15482691 0.24840440 0.20777981 1.0 Ga Ga20 1 0.93683605 0.50627898 0.32442484 1.0 Ga Ga21 1 0.56325899 0.99409258 0.82204239 1.0 Ga Ga22 1 0.06463291 0.00694473 0.67848209 1.0 Ga Ga23 1 0.43618029 0.49303752 0.17707804 1.0 Ga Ga24 1 0.06299428 0.49345912 0.67357257 1.0 As As25 1 0.43570854 0.00931125 0.17241297 1.0 As As26 1 0.93542402 0.99049016 0.32701311 1.0 As As27 1 0.56325796 0.50940204 0.82569912 1.0 P P28 1 0.39979219 0.74756359 0.47415996 1.0 P P29 1 0.09844944 0.75017163 0.97179474 1.0 P P30 1 0.59933595 0.24869916 0.52754309 1.0 P P31 1 0.90313500 0.25129851 0.02551371 1.0