# generated using pymatgen data_Ba2ZnCuNi2F14 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32747400 _cell_length_b 7.40078554 _cell_length_c 14.47845485 _cell_angle_alpha 89.85166813 _cell_angle_beta 89.75027692 _cell_angle_gamma 69.51256040 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2ZnCuNi2F14 _chemical_formula_sum 'Ba4 Zn2 Cu2 Ni4 F28' _cell_volume 534.73693104 _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 Ba Ba0 1 0.75662800 0.38723300 0.61851200 1.0 Ba Ba1 1 0.85843900 0.38665200 0.11876500 1.0 Ba Ba2 1 0.23502400 0.60479300 0.37684500 1.0 Ba Ba3 1 0.15895100 0.60667400 0.87866200 1.0 Zn Zn4 1 0.39718700 0.04723600 0.75963900 1.0 Zn Zn5 1 0.55038500 0.03831300 0.25842600 1.0 Cu Cu6 1 0.51039200 0.00005900 0.00143300 1.0 Cu Cu7 1 0.49147700 0.99898100 0.50280700 1.0 Ni Ni8 1 0.88293600 0.22737100 0.87387800 1.0 Ni Ni9 1 0.13016600 0.76784200 0.12869300 1.0 Ni Ni10 1 0.89490100 0.21868500 0.37306900 1.0 Ni Ni11 1 0.10286800 0.77017900 0.62843300 1.0 F F12 1 0.89739700 0.96405500 0.33264800 1.0 F F13 1 0.57615500 0.22345900 0.46192900 1.0 F F14 1 0.40622200 0.77089900 0.54309800 1.0 F F15 1 0.18585900 0.51952500 0.57764200 1.0 F F16 1 0.50482800 0.09685700 0.62777100 1.0 F F17 1 0.61874800 0.90414800 0.87906200 1.0 F F18 1 0.18531900 0.23399100 0.95984200 1.0 F F19 1 0.91837200 0.01755100 0.15642000 1.0 F F20 1 0.06322000 0.32102600 0.77118700 1.0 F F21 1 0.80215300 0.48789200 0.41904800 1.0 F F22 1 0.58356100 0.24162300 0.78764100 1.0 F F23 1 0.70369700 0.49147500 0.91903900 1.0 F F24 1 0.17550200 0.23690500 0.28555400 1.0 F F25 1 0.41032400 0.75775200 0.20920800 1.0 F F26 1 0.40900300 0.09737200 0.12431500 1.0 F F27 1 0.96420600 0.65780100 0.21949800 1.0 F F28 1 0.29480800 0.84585800 0.01717500 1.0 F F29 1 0.07285600 0.01836600 0.65891100 1.0 F F30 1 0.72046700 0.15198400 0.98557700 1.0 F F31 1 0.86716500 0.84863000 0.51695500 1.0 F F32 1 0.84275300 0.76148300 0.04257000 1.0 F F33 1 0.84075800 0.74643500 0.70692100 1.0 F F34 1 0.61778900 0.31618300 0.27226400 1.0 F F35 1 0.12092800 0.15343800 0.48908200 1.0 F F36 1 0.46349100 0.90643000 0.37973300 1.0 F F37 1 0.12492900 0.96945300 0.83453800 1.0 F F38 1 0.37701300 0.65931500 0.71908600 1.0 F F39 1 0.30730000 0.51738800 0.08159000 1.0