# generated using pymatgen data_Sc2Mn3Ni9P7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.04199729 _cell_length_b 9.04199774 _cell_length_c 3.59917652 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999835 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2Mn3Ni9P7 _chemical_formula_sum 'Sc2 Mn3 Ni9 P7' _cell_volume 254.83703981 _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 Sc Sc0 1 0.33333300 0.66666700 0.00000000 1.0 Sc Sc1 1 0.66666700 0.33333300 0.50000000 1.0 Mn Mn2 1 0.22496409 0.12494210 0.50000000 1.0 Mn Mn3 1 0.87505790 0.10002199 0.50000000 1.0 Mn Mn4 1 0.89997801 0.77503591 0.50000000 1.0 Ni Ni5 1 0.12219885 0.27991258 0.00000000 1.0 Ni Ni6 1 0.72008742 0.84228527 0.00000000 1.0 Ni Ni7 1 0.15771473 0.87780115 0.00000000 1.0 Ni Ni8 1 0.43409836 0.36925675 0.00000000 1.0 Ni Ni9 1 0.63074325 0.06484261 0.00000000 1.0 Ni Ni10 1 0.93515739 0.56590164 0.00000000 1.0 Ni Ni11 1 0.05349384 0.43900530 0.50000000 1.0 Ni Ni12 1 0.56099470 0.61448854 0.50000000 1.0 Ni Ni13 1 0.38551146 0.94650616 0.50000000 1.0 P P14 1 0.29153605 0.41401436 0.50000000 1.0 P P15 1 0.58598564 0.87752168 0.50000000 1.0 P P16 1 0.12247832 0.70846395 0.50000000 1.0 P P17 1 0.41726932 0.11669397 0.00000000 1.0 P P18 1 0.88330603 0.30057535 0.00000000 1.0 P P19 1 0.69942465 0.58273068 0.00000000 1.0 P P20 1 0.00000000 0.00000000 0.00000000 1.0