# generated using pymatgen data_Ti6GeAsN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43081347 _cell_length_b 5.43081302 _cell_length_c 8.00125634 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 145.56125706 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti6GeAsN2 _chemical_formula_sum 'Ti6 Ge1 As1 N2' _cell_volume 133.45645459 _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 0.94996362 0.05003638 0.25000000 1.0 Ti Ti1 1 0.05423266 0.94576734 0.75000000 1.0 Ti Ti2 1 0.62756752 0.37243248 0.45067572 1.0 Ti Ti3 1 0.37089994 0.62910006 0.55205526 1.0 Ti Ti4 1 0.62756752 0.37243248 0.04932428 1.0 Ti Ti5 1 0.37089994 0.62910006 0.94794474 1.0 Ge Ge6 1 0.25425781 0.74574219 0.25000000 1.0 As As7 1 0.74531048 0.25468952 0.75000000 1.0 N N8 1 0.99965077 0.00034923 0.50145345 1.0 N N9 1 0.99965077 0.00034923 0.99854655 1.0