# generated using pymatgen data_Mg2Ni9Mo3P7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59888846 _cell_length_b 9.11241702 _cell_length_c 9.11241716 _cell_angle_alpha 120.00000054 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2Ni9Mo3P7 _chemical_formula_sum 'Mg2 Ni9 Mo3 P7' _cell_volume 258.80114655 _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 Mg Mg0 1 0.00000000 0.66666700 0.33333300 1.0 Mg Mg1 1 0.50000000 0.33333300 0.66666700 1.0 Ni Ni2 1 0.00000000 0.56002400 0.92974847 1.0 Ni Ni3 1 0.00000000 0.36972447 0.43997600 1.0 Ni Ni4 1 0.00000000 0.07025153 0.63027553 1.0 Ni Ni5 1 0.50000000 0.93809460 0.38523612 1.0 Ni Ni6 1 0.50000000 0.44714152 0.06190540 1.0 Ni Ni7 1 0.50000000 0.61476388 0.55285848 1.0 Ni Ni8 1 0.00000000 0.87097286 0.16037298 1.0 Ni Ni9 1 0.00000000 0.28940012 0.12902714 1.0 Ni Ni10 1 0.00000000 0.83962702 0.71059988 1.0 Mo Mo11 1 0.50000000 0.77976481 0.89881035 1.0 Mo Mo12 1 0.50000000 0.11904654 0.22023519 1.0 Mo Mo13 1 0.50000000 0.10118965 0.88095346 1.0 P P14 1 0.50000000 0.70900072 0.12048157 1.0 P P15 1 0.50000000 0.41148086 0.29099928 1.0 P P16 1 0.50000000 0.87951843 0.58851914 1.0 P P17 1 0.00000000 0.00000000 0.00000000 1.0 P P18 1 0.00000000 0.58464834 0.70013234 1.0 P P19 1 0.00000000 0.11548400 0.41535166 1.0 P P20 1 0.00000000 0.29986766 0.88451600 1.0