# generated using pymatgen data_NiGeH12(OF)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.38309176 _cell_length_b 10.38309116 _cell_length_c 10.38309161 _cell_angle_alpha 79.67146027 _cell_angle_beta 79.67146276 _cell_angle_gamma 79.67146462 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiGeH12(OF)6 _chemical_formula_sum 'Ni1 Ge1 H12 O6 F6' _cell_volume 1070.80874512 _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 Ni Ni0 1 0.00000000 0.00000000 -0.00000000 1.0 Ge Ge1 1 0.50000000 0.50000000 0.50000000 1.0 H H2 1 0.68409521 0.55113411 0.96546984 1.0 H H3 1 0.50570493 0.62393474 0.72859747 1.0 H H4 1 0.37606526 0.27140253 0.49429507 1.0 H H5 1 0.55113411 0.96546984 0.68409521 1.0 H H6 1 0.27140253 0.49429507 0.37606526 1.0 H H7 1 0.96546984 0.68409521 0.55113411 1.0 H H8 1 0.03453016 0.31590479 0.44886589 1.0 H H9 1 0.72859747 0.50570493 0.62393474 1.0 H H10 1 0.44886589 0.03453016 0.31590479 1.0 H H11 1 0.62393474 0.72859747 0.50570493 1.0 H H12 1 0.49429507 0.37606526 0.27140253 1.0 H H13 1 0.31590479 0.44886589 0.03453016 1.0 O O14 1 0.27912858 0.50025153 0.27900807 1.0 O O15 1 0.49974847 0.72099193 0.72087142 1.0 O O16 1 0.72099193 0.72087142 0.49974847 1.0 O O17 1 0.27900807 0.27912858 0.50025153 1.0 O O18 1 0.50025153 0.27900807 0.27912858 1.0 O O19 1 0.72087142 0.49974847 0.72099193 1.0 F F20 1 0.24003471 0.33483171 0.62376044 1.0 F F21 1 0.33483171 0.62376044 0.24003471 1.0 F F22 1 0.37623956 0.75996529 0.66516829 1.0 F F23 1 0.62376044 0.24003471 0.33483171 1.0 F F24 1 0.66516829 0.37623956 0.75996529 1.0 F F25 1 0.75996529 0.66516829 0.37623956 1.0