# generated using pymatgen data_Np2Nb3Si4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.92018715 _cell_length_b 7.10991084 _cell_length_c 13.39919624 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Np2Nb3Si4 _chemical_formula_sum 'Np8 Nb12 Si16' _cell_volume 659.26609563 _cell_formula_units_Z 4 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 Np Np0 1 0.50341911 0.66899976 0.59373486 1.0 Np Np1 1 0.00341911 0.83100024 0.90626514 1.0 Np Np2 1 0.49658089 0.33100024 0.09373486 1.0 Np Np3 1 0.99658089 0.16899976 0.40626514 1.0 Np Np4 1 0.49658089 0.33100024 0.40626514 1.0 Np Np5 1 0.99658089 0.16899976 0.09373486 1.0 Np Np6 1 0.50341911 0.66899976 0.90626514 1.0 Np Np7 1 0.00341911 0.83100024 0.59373486 1.0 Nb Nb8 1 0.66171248 0.17729895 0.62580921 1.0 Nb Nb9 1 0.16171248 0.32270105 0.87419079 1.0 Nb Nb10 1 0.33828752 0.82270105 0.12580921 1.0 Nb Nb11 1 0.83828752 0.67729895 0.37419079 1.0 Nb Nb12 1 0.33828752 0.82270105 0.37419079 1.0 Nb Nb13 1 0.83828752 0.67729895 0.12580921 1.0 Nb Nb14 1 0.66171248 0.17729895 0.87419079 1.0 Nb Nb15 1 0.16171248 0.32270105 0.62580921 1.0 Nb Nb16 1 0.83516996 0.49513154 0.75000000 1.0 Nb Nb17 1 0.33516996 0.00486846 0.75000000 1.0 Nb Nb18 1 0.16483004 0.50486846 0.25000000 1.0 Nb Nb19 1 0.66483004 0.99513154 0.25000000 1.0 Si Si20 1 0.65935607 0.96164254 0.45849450 1.0 Si Si21 1 0.15935607 0.53835746 0.04150550 1.0 Si Si22 1 0.34064393 0.03835746 0.95849450 1.0 Si Si23 1 0.84064393 0.46164254 0.54150550 1.0 Si Si24 1 0.34064393 0.03835746 0.54150550 1.0 Si Si25 1 0.84064393 0.46164254 0.95849450 1.0 Si Si26 1 0.65935607 0.96164254 0.04150550 1.0 Si Si27 1 0.15935607 0.53835746 0.45849450 1.0 Si Si28 1 0.45636744 0.37639196 0.75000000 1.0 Si Si29 1 0.95636744 0.12360804 0.75000000 1.0 Si Si30 1 0.54363256 0.62360804 0.25000000 1.0 Si Si31 1 0.04363256 0.87639196 0.25000000 1.0 Si Si32 1 0.70201388 0.87536870 0.75000000 1.0 Si Si33 1 0.20201388 0.62463130 0.75000000 1.0 Si Si34 1 0.29798612 0.12463130 0.25000000 1.0 Si Si35 1 0.79798612 0.37536870 0.25000000 1.0