# generated using pymatgen data_Be3Zn2(NF6)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.01384500 _cell_length_b 10.01384500 _cell_length_c 10.01384500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be3Zn2(NF6)2 _chemical_formula_sum 'Be12 Zn8 N8 F48' _cell_volume 1004.15925317 _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 Be Be0 1 0.23322100 0.37669400 0.96130500 1.0 Be Be1 1 0.03869500 0.73322100 0.12330600 1.0 Be Be2 1 0.87669400 0.53869500 0.76677900 1.0 Be Be3 1 0.73322100 0.12330600 0.03869500 1.0 Be Be4 1 0.53869500 0.76677900 0.87669400 1.0 Be Be5 1 0.37669400 0.96130500 0.23322100 1.0 Be Be6 1 0.76677900 0.87669400 0.53869500 1.0 Be Be7 1 0.96130500 0.23322100 0.37669400 1.0 Be Be8 1 0.12330600 0.03869500 0.73322100 1.0 Be Be9 1 0.26677900 0.62330600 0.46130500 1.0 Be Be10 1 0.46130500 0.26677900 0.62330600 1.0 Be Be11 1 0.62330600 0.46130500 0.26677900 1.0 Zn Zn12 1 0.91519900 0.41519900 0.08480100 1.0 Zn Zn13 1 0.41519900 0.08480100 0.91519900 1.0 Zn Zn14 1 0.08480100 0.91519900 0.41519900 1.0 Zn Zn15 1 0.58480100 0.58480100 0.58480100 1.0 Zn Zn16 1 0.65007400 0.15007400 0.34992600 1.0 Zn Zn17 1 0.15007400 0.34992600 0.65007400 1.0 Zn Zn18 1 0.34992600 0.65007400 0.15007400 1.0 Zn Zn19 1 0.84992600 0.84992600 0.84992600 1.0 N N20 1 0.42441800 0.92441800 0.57558200 1.0 N N21 1 0.92441800 0.57558200 0.42441800 1.0 N N22 1 0.57558200 0.42441800 0.92441800 1.0 N N23 1 0.07558200 0.07558200 0.07558200 1.0 N N24 1 0.21323200 0.71323200 0.78676800 1.0 N N25 1 0.71323200 0.78676800 0.21323200 1.0 N N26 1 0.78676800 0.21323200 0.71323200 1.0 N N27 1 0.28676800 0.28676800 0.28676800 1.0 F F28 1 0.08386300 0.35254500 0.99720600 1.0 F F29 1 0.00279400 0.58386300 0.14745500 1.0 F F30 1 0.85254500 0.50279400 0.91613700 1.0 F F31 1 0.58386300 0.14745500 0.00279400 1.0 F F32 1 0.50279400 0.91613700 0.85254500 1.0 F F33 1 0.35254500 0.99720600 0.08386300 1.0 F F34 1 0.91613700 0.85254500 0.50279400 1.0 F F35 1 0.99720600 0.08386300 0.35254500 1.0 F F36 1 0.14745500 0.00279400 0.58386300 1.0 F F37 1 0.41613700 0.64745500 0.49720600 1.0 F F38 1 0.49720600 0.41613700 0.64745500 1.0 F F39 1 0.64745500 0.49720600 0.41613700 1.0 F F40 1 0.31140900 0.24322100 0.98476500 1.0 F F41 1 0.01523500 0.81140900 0.25677900 1.0 F F42 1 0.74322100 0.51523500 0.68859100 1.0 F F43 1 0.81140900 0.25677900 0.01523500 1.0 F F44 1 0.51523500 0.68859100 0.74322100 1.0 F F45 1 0.24322100 0.98476500 0.31140900 1.0 F F46 1 0.68859100 0.74322100 0.51523500 1.0 F F47 1 0.98476500 0.31140900 0.24322100 1.0 F F48 1 0.25677900 0.01523500 0.81140900 1.0 F F49 1 0.18859100 0.75677900 0.48476500 1.0 F F50 1 0.48476500 0.18859100 0.75677900 1.0 F F51 1 0.75677900 0.48476500 0.18859100 1.0 F F52 1 0.24340700 0.42150000 0.81133100 1.0 F F53 1 0.18866900 0.74340700 0.07850000 1.0 F F54 1 0.92150000 0.68866900 0.75659300 1.0 F F55 1 0.74340700 0.07850000 0.18866900 1.0 F F56 1 0.68866900 0.75659300 0.92150000 1.0 F F57 1 0.42150000 0.81133100 0.24340700 1.0 F F58 1 0.75659300 0.92150000 0.68866900 1.0 F F59 1 0.81133100 0.24340700 0.42150000 1.0 F F60 1 0.07850000 0.18866900 0.74340700 1.0 F F61 1 0.25659300 0.57850000 0.31133100 1.0 F F62 1 0.31133100 0.25659300 0.57850000 1.0 F F63 1 0.57850000 0.31133100 0.25659300 1.0 F F64 1 0.30225900 0.48295600 0.04925700 1.0 F F65 1 0.95074300 0.80225900 0.01704400 1.0 F F66 1 0.98295600 0.45074300 0.69774100 1.0 F F67 1 0.80225900 0.01704400 0.95074300 1.0 F F68 1 0.45074300 0.69774100 0.98295600 1.0 F F69 1 0.48295600 0.04925700 0.30225900 1.0 F F70 1 0.69774100 0.98295600 0.45074300 1.0 F F71 1 0.04925700 0.30225900 0.48295600 1.0 F F72 1 0.01704400 0.95074300 0.80225900 1.0 F F73 1 0.19774100 0.51704400 0.54925700 1.0 F F74 1 0.54925700 0.19774100 0.51704400 1.0 F F75 1 0.51704400 0.54925700 0.19774100 1.0