# generated using pymatgen data_Sr2Nb3Ni9P7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75902200 _cell_length_b 9.39709910 _cell_length_c 9.39709939 _cell_angle_alpha 120.00000102 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2Nb3Ni9P7 _chemical_formula_sum 'Sr2 Nb3 Ni9 P7' _cell_volume 287.47039224 _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 Sr Sr0 1 0.00000000 0.66666700 0.33333300 1.0 Sr Sr1 1 0.50000000 0.33333300 0.66666700 1.0 Nb Nb2 1 0.50000000 0.77762365 0.89325559 1.0 Nb Nb3 1 0.50000000 0.11563194 0.22237635 1.0 Nb Nb4 1 0.50000000 0.10674441 0.88436806 1.0 Ni Ni5 1 0.00000000 0.57383579 0.93896640 1.0 Ni Ni6 1 0.00000000 0.36512861 0.42616421 1.0 Ni Ni7 1 0.00000000 0.06103360 0.63487139 1.0 Ni Ni8 1 0.00000000 0.87216328 0.15206728 1.0 Ni Ni9 1 0.00000000 0.27990501 0.12783672 1.0 Ni Ni10 1 0.00000000 0.84793272 0.72009499 1.0 Ni Ni11 1 0.50000000 0.94674077 0.38641734 1.0 Ni Ni12 1 0.50000000 0.43967757 0.05325923 1.0 Ni Ni13 1 0.50000000 0.61358266 0.56032243 1.0 P P14 1 0.50000000 0.70785032 0.11116211 1.0 P P15 1 0.50000000 0.40331279 0.29214968 1.0 P P16 1 0.50000000 0.88883789 0.59668721 1.0 P P17 1 0.00000000 0.00000000 0.00000000 1.0 P P18 1 0.00000000 0.59074859 0.68933098 1.0 P P19 1 0.00000000 0.09858240 0.40925141 1.0 P P20 1 0.00000000 0.31066902 0.90141760 1.0