# generated using pymatgen data_Ti5Si2AsN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.44645012 _cell_length_b 7.40626723 _cell_length_c 5.18142532 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.17962453 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti5Si2AsN _chemical_formula_sum 'Ti10 Si4 As2 N2' _cell_volume 247.02426100 _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 0.22512412 1.00000000 0.75000000 1.0 Ti Ti1 1 0.77487588 0.00000000 0.25000000 1.0 Ti Ti2 1 0.00546492 0.23435608 0.75000000 1.0 Ti Ti3 1 0.99453508 0.76564392 0.25000000 1.0 Ti Ti4 1 0.77110883 0.76564392 0.75000000 1.0 Ti Ti5 1 0.22889117 0.23435608 0.25000000 1.0 Ti Ti6 1 0.33315828 0.66631656 0.50000000 1.0 Ti Ti7 1 0.66684172 0.33368344 0.50000000 1.0 Ti Ti8 1 0.66684172 0.33368344 0.00000000 1.0 Ti Ti9 1 0.33315828 0.66631656 0.00000000 1.0 Si Si10 1 0.99991907 0.58886650 0.75000000 1.0 Si Si11 1 0.00008093 0.41113350 0.25000000 1.0 Si Si12 1 0.41105257 0.41113350 0.75000000 1.0 Si Si13 1 0.58894743 0.58886650 0.25000000 1.0 As As14 1 0.59992833 1.00000000 0.75000000 1.0 As As15 1 0.40007167 0.00000000 0.25000000 1.0 N N16 1 0.00000000 0.00000000 0.50000000 1.0 N N17 1 0.00000000 0.00000000 0.00000000 1.0