# generated using pymatgen data_Np(BH4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.81390644 _cell_length_b 8.81507181 _cell_length_c 6.01689322 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00973819 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Np(BH4)4 _chemical_formula_sum 'Np2 B8 H32' _cell_volume 467.48382455 _cell_formula_units_Z 2 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 -0.00004667 -0.00000000 0.00003478 1.0 Np Np1 1 0.50004667 0.50000000 0.49996522 1.0 B B2 1 0.23172466 -0.00000000 0.22837391 1.0 B B3 1 0.49984976 0.26826376 0.72814348 1.0 B B4 1 0.49984976 0.73173624 0.72814348 1.0 B B5 1 0.76830709 -0.00000000 0.22822748 1.0 B B6 1 0.26827534 0.50000000 0.27162609 1.0 B B7 1 0.73169291 0.50000000 0.27177252 1.0 B B8 1 0.00015024 0.23173624 0.77185652 1.0 B B9 1 0.00015024 0.76826376 0.77185652 1.0 H H10 1 0.34422877 -0.00000000 0.33734068 1.0 H H11 1 0.49992429 0.15585706 0.83717811 1.0 H H12 1 0.49992429 0.84414294 0.83717811 1.0 H H13 1 0.65580749 -0.00000000 0.33694913 1.0 H H14 1 0.15577123 0.50000000 0.16265932 1.0 H H15 1 0.84419251 0.50000000 0.16305087 1.0 H H16 1 0.00007571 0.34414294 0.66282189 1.0 H H17 1 0.00007571 0.65585706 0.66282189 1.0 H H18 1 0.25407921 -0.00000000 0.02298725 1.0 H H19 1 0.49980632 0.24571438 0.52292288 1.0 H H20 1 0.49980632 0.75428562 0.52292288 1.0 H H21 1 0.74568397 -0.00000000 0.02308587 1.0 H H22 1 0.24592079 0.50000000 0.47701275 1.0 H H23 1 0.75431603 0.50000000 0.47691413 1.0 H H24 1 0.00019368 0.25428562 0.97707712 1.0 H H25 1 0.00019368 0.74571438 0.97707712 1.0 H H26 1 0.14727908 0.11265951 0.25801995 1.0 H H27 1 0.61247369 0.35259590 0.75817792 1.0 H H28 1 0.38713333 0.64750366 0.75770786 1.0 H H29 1 0.85257437 0.88742361 0.25828978 1.0 H H30 1 0.35272092 0.61265951 0.24198005 1.0 H H31 1 0.64742563 0.38742361 0.24171022 1.0 H H32 1 0.11286667 0.14750366 0.74229214 1.0 H H33 1 0.88752631 0.85259590 0.74182208 1.0 H H34 1 0.35272092 0.38734049 0.24198005 1.0 H H35 1 0.88752631 0.14740410 0.74182208 1.0 H H36 1 0.11286667 0.85249634 0.74229214 1.0 H H37 1 0.64742563 0.61257639 0.24171022 1.0 H H38 1 0.14727908 0.88734049 0.25801995 1.0 H H39 1 0.85257437 0.11257639 0.25828978 1.0 H H40 1 0.38713333 0.35249634 0.75770786 1.0 H H41 1 0.61247369 0.64740410 0.75817792 1.0