# generated using pymatgen data_Ti10Ga3AsP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.63084187 _cell_length_b 7.75272716 _cell_length_c 9.77847749 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.08518780 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti10Ga3AsP2 _chemical_formula_sum 'Ti20 Ga6 As2 P4' _cell_volume 502.68269174 _cell_formula_units_Z 2 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 0.81812899 0.55536544 0.05880339 1.0 Ti Ti1 1 0.68187101 0.94463456 0.55880339 1.0 Ti Ti2 1 0.18289322 0.05630194 0.93907657 1.0 Ti Ti3 1 0.31710678 0.44369806 0.43907657 1.0 Ti Ti4 1 0.18146343 0.44683625 0.93890393 1.0 Ti Ti5 1 0.31853657 0.05316375 0.43890393 1.0 Ti Ti6 1 0.82102899 0.94640041 0.06271647 1.0 Ti Ti7 1 0.67897101 0.55359959 0.56271647 1.0 Ti Ti8 1 0.17039766 0.75356070 0.22174664 1.0 Ti Ti9 1 0.32960234 0.74643930 0.72174664 1.0 Ti Ti10 1 0.82705980 0.25411719 0.77833356 1.0 Ti Ti11 1 0.67294020 0.24588281 0.27833356 1.0 Ti Ti12 1 0.47860655 0.74871406 0.00312152 1.0 Ti Ti13 1 0.02139345 0.75128594 0.50312152 1.0 Ti Ti14 1 0.52341069 0.25177425 0.99830717 1.0 Ti Ti15 1 0.97658931 0.24822575 0.49830717 1.0 Ti Ti16 1 0.65515104 0.75010308 0.29016994 1.0 Ti Ti17 1 0.84484896 0.74989692 0.79016994 1.0 Ti Ti18 1 0.34201828 0.25332888 0.70895276 1.0 Ti Ti19 1 0.15798172 0.24667112 0.20895276 1.0 Ga Ga20 1 0.93771468 0.50570719 0.32444249 1.0 Ga Ga21 1 0.56228532 0.99429281 0.82444249 1.0 Ga Ga22 1 0.06345400 0.00724751 0.67750324 1.0 Ga Ga23 1 0.43654600 0.49275249 0.17750324 1.0 Ga Ga24 1 0.06221553 0.49373559 0.67281948 1.0 Ga Ga25 1 0.43778447 0.00626441 0.17281948 1.0 As As26 1 0.93768655 0.99081746 0.32596147 1.0 As As27 1 0.56231345 0.50918254 0.82596147 1.0 P P28 1 0.39906377 0.74852213 0.47198326 1.0 P P29 1 0.10093623 0.75147787 0.97198326 1.0 P P30 1 0.59852021 0.24885068 0.52715810 1.0 P P31 1 0.90147979 0.25114932 0.02715810 1.0