# generated using pymatgen data_BaSmTc4N7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.44376101 _cell_length_b 6.44376077 _cell_length_c 10.54356285 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999623 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSmTc4N7 _chemical_formula_sum 'Ba2 Sm2 Tc8 N14' _cell_volume 379.13761347 _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 Ba Ba0 1 0.33333300 0.66666700 0.34947870 1.0 Ba Ba1 1 0.66666700 0.33333300 0.84947870 1.0 Sm Sm2 1 0.33333300 0.66666700 0.72398931 1.0 Sm Sm3 1 0.66666700 0.33333300 0.22398931 1.0 Tc Tc4 1 0.83918460 0.67836921 0.54805982 1.0 Tc Tc5 1 0.16081540 0.83918460 0.04805982 1.0 Tc Tc6 1 0.67836921 0.83918460 0.04805982 1.0 Tc Tc7 1 0.32163079 0.16081540 0.54805982 1.0 Tc Tc8 1 0.83918460 0.16081540 0.54805982 1.0 Tc Tc9 1 0.16081540 0.32163079 0.04805982 1.0 Tc Tc10 1 0.00000000 0.00000000 0.85815897 1.0 Tc Tc11 1 0.00000000 0.00000000 0.35815897 1.0 N N12 1 0.00000000 0.00000000 0.63332239 1.0 N N13 1 0.00000000 0.00000000 0.13332239 1.0 N N14 1 0.16744668 0.33489535 0.86353273 1.0 N N15 1 0.83255332 0.16744668 0.36353273 1.0 N N16 1 0.33489535 0.16744668 0.36353273 1.0 N N17 1 0.66510465 0.83255332 0.86353273 1.0 N N18 1 0.16744668 0.83255332 0.86353273 1.0 N N19 1 0.83255332 0.66510465 0.36353273 1.0 N N20 1 0.97022997 0.48511599 0.59805833 1.0 N N21 1 0.48511599 0.97022997 0.09805833 1.0 N N22 1 0.48511599 0.51488401 0.09805833 1.0 N N23 1 0.51488401 0.48511599 0.59805833 1.0 N N24 1 0.02977003 0.51488401 0.09805833 1.0 N N25 1 0.51488401 0.02977003 0.59805833 1.0