# generated using pymatgen data_Sm2Nb3Ni9P7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73706501 _cell_length_b 9.30132712 _cell_length_c 9.30139029 _cell_angle_alpha 119.99690288 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm2Nb3Ni9P7 _chemical_formula_sum 'Sm2 Nb3 Ni9 P7' _cell_volume 280.00618471 _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 Sm Sm0 1 0.00000000 0.66667821 0.33333471 1.0 Sm Sm1 1 0.50000000 0.33332582 0.66666469 1.0 Nb Nb2 1 0.50000000 0.77612855 0.89312442 1.0 Nb Nb3 1 0.50000000 0.11698451 0.22387209 1.0 Nb Nb4 1 0.50000000 0.10687731 0.88300214 1.0 Ni Ni5 1 0.00000000 0.56959712 0.93661680 1.0 Ni Ni6 1 0.00000000 0.36701330 0.43041920 1.0 Ni Ni7 1 0.00000000 0.06339739 0.63297521 1.0 Ni Ni8 1 0.00000000 0.86999140 0.15487760 1.0 Ni Ni9 1 0.00000000 0.28486560 0.12998509 1.0 Ni Ni10 1 0.00000000 0.84510809 0.71512192 1.0 Ni Ni11 1 0.50000000 0.94335483 0.38662910 1.0 Ni Ni12 1 0.50000000 0.44329910 0.05662688 1.0 Ni Ni13 1 0.50000000 0.61337118 0.55673649 1.0 P P14 1 0.50000000 0.70936307 0.11645699 1.0 P P15 1 0.50000000 0.40709537 0.29064804 1.0 P P16 1 0.50000000 0.88354265 0.59290225 1.0 P P17 1 0.00000000 0.99999701 0.00000079 1.0 P P18 1 0.00000000 0.58669035 0.69163528 1.0 P P19 1 0.00000000 0.10495209 0.41332325 1.0 P P20 1 0.00000000 0.30836805 0.89504604 1.0