# generated using pymatgen data_Tm(Ta3N4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24246921 _cell_length_b 5.24246178 _cell_length_c 10.47353952 _cell_angle_alpha 90.00001541 _cell_angle_beta 89.99996953 _cell_angle_gamma 120.00018617 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm(Ta3N4)3 _chemical_formula_sum 'Tm1 Ta9 N12' _cell_volume 249.28402832 _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 Tm Tm0 1 0.33331539 0.66668561 0.99999900 1.0 Ta Ta1 1 0.66666791 0.33333109 0.49999900 1.0 Ta Ta2 1 0.66666854 0.33333146 0.00000100 1.0 Ta Ta3 1 0.33333407 0.66666493 0.50000000 1.0 Ta Ta4 1 0.32249235 0.99829353 0.25406887 1.0 Ta Ta5 1 0.67580534 0.99829759 0.74593010 1.0 Ta Ta6 1 0.00170341 0.32419666 0.25406890 1.0 Ta Ta7 1 0.67580431 0.67750690 0.25407022 1.0 Ta Ta8 1 0.32249410 0.32419669 0.74592978 1.0 Ta Ta9 1 0.00170647 0.67750665 0.74593113 1.0 N N10 1 0.34206651 0.00013743 0.61749237 1.0 N N11 1 0.66395826 0.01600305 0.12911499 1.0 N N12 1 0.99986232 0.34192627 0.61749292 1.0 N N13 1 0.65807466 0.65793304 0.61749283 1.0 N N14 1 0.35204291 0.33603748 0.12911550 1.0 N N15 1 0.98399827 0.64795555 0.12911468 1.0 N N16 1 0.35204445 0.01600073 0.87088532 1.0 N N17 1 0.66396452 0.64795709 0.87088350 1.0 N N18 1 0.98399595 0.33604074 0.87088401 1.0 N N19 1 0.99986057 0.65793149 0.38250663 1.0 N N20 1 0.34206596 0.34192534 0.38250717 1.0 N N21 1 0.65807373 0.00013768 0.38250708 1.0