# generated using pymatgen data_NiH12(ClO6)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.11323400 _cell_length_b 11.11323400 _cell_length_c 11.11323400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiH12(ClO6)2 _chemical_formula_sum 'Ni4 H48 Cl8 O48' _cell_volume 1372.52851786 _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 Ni Ni0 1 0.50000000 0.50000000 0.00000000 1.0 Ni Ni1 1 0.50000000 0.00000000 0.50000000 1.0 Ni Ni2 1 0.00000000 0.50000000 0.50000000 1.0 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1.0 H H4 1 0.19105200 0.58301200 0.14520100 1.0 H H5 1 0.80894800 0.08301200 0.35479900 1.0 H H6 1 0.30894800 0.41698800 0.64520100 1.0 H H7 1 0.69105200 0.91698800 0.85479900 1.0 H H8 1 0.14520100 0.19105200 0.58301200 1.0 H H9 1 0.35479900 0.80894800 0.08301200 1.0 H H10 1 0.64520100 0.30894800 0.41698800 1.0 H H11 1 0.85479900 0.69105200 0.91698800 1.0 H H12 1 0.58301200 0.14520100 0.19105200 1.0 H H13 1 0.08301200 0.35479900 0.80894800 1.0 H H14 1 0.41698800 0.64520100 0.30894800 1.0 H H15 1 0.91698800 0.85479900 0.69105200 1.0 H H16 1 0.80894800 0.41698800 0.85479900 1.0 H H17 1 0.19105200 0.91698800 0.64520100 1.0 H H18 1 0.69105200 0.58301200 0.35479900 1.0 H H19 1 0.30894800 0.08301200 0.14520100 1.0 H H20 1 0.85479900 0.80894800 0.41698800 1.0 H H21 1 0.64520100 0.19105200 0.91698800 1.0 H H22 1 0.35479900 0.69105200 0.58301200 1.0 H H23 1 0.14520100 0.30894800 0.08301200 1.0 H H24 1 0.41698800 0.85479900 0.80894800 1.0 H H25 1 0.91698800 0.64520100 0.19105200 1.0 H H26 1 0.58301200 0.35479900 0.69105200 1.0 H H27 1 0.08301200 0.14520100 0.30894800 1.0 H H28 1 0.19109600 0.31795400 0.88845200 1.0 H H29 1 0.80890400 0.81795400 0.61154800 1.0 H H30 1 0.30890400 0.68204600 0.38845200 1.0 H H31 1 0.69109600 0.18204600 0.11154800 1.0 H H32 1 0.88845200 0.19109600 0.31795400 1.0 H H33 1 0.61154800 0.80890400 0.81795400 1.0 H H34 1 0.38845200 0.30890400 0.68204600 1.0 H H35 1 0.11154800 0.69109600 0.18204600 1.0 H H36 1 0.31795400 0.88845200 0.19109600 1.0 H H37 1 0.81795400 0.61154800 0.80890400 1.0 H H38 1 0.68204600 0.38845200 0.30890400 1.0 H H39 1 0.18204600 0.11154800 0.69109600 1.0 H H40 1 0.80890400 0.68204600 0.11154800 1.0 H H41 1 0.19109600 0.18204600 0.38845200 1.0 H H42 1 0.69109600 0.31795400 0.61154800 1.0 H H43 1 0.30890400 0.81795400 0.88845200 1.0 H H44 1 0.11154800 0.80890400 0.68204600 1.0 H H45 1 0.38845200 0.19109600 0.18204600 1.0 H H46 1 0.61154800 0.69109600 0.31795400 1.0 H H47 1 0.88845200 0.30890400 0.81795400 1.0 H H48 1 0.68204600 0.11154800 0.80890400 1.0 H H49 1 0.18204600 0.38845200 0.19109600 1.0 H H50 1 0.31795400 0.61154800 0.69109600 1.0 H H51 1 0.81795400 0.88845200 0.30890400 1.0 Cl Cl52 1 0.17745800 0.82254200 0.32254200 1.0 Cl Cl53 1 0.82254200 0.32254200 0.17745800 1.0 Cl Cl54 1 0.32254200 0.17745800 0.82254200 1.0 Cl Cl55 1 0.67745800 0.67745800 0.67745800 1.0 Cl Cl56 1 0.82254200 0.17745800 0.67745800 1.0 Cl Cl57 1 0.17745800 0.67745800 0.82254200 1.0 Cl Cl58 1 0.67745800 0.82254200 0.17745800 1.0 Cl Cl59 1 0.32254200 0.32254200 0.32254200 1.0 O O60 1 0.38867900 0.64313000 0.64843000 1.0 O O61 1 0.61132100 0.14313000 0.85157000 1.0 O O62 1 0.11132100 0.35687000 0.14843000 1.0 O O63 1 0.88867900 0.85687000 0.35157000 1.0 O O64 1 0.64843000 0.38867900 0.64313000 1.0 O O65 1 0.85157000 0.61132100 0.14313000 1.0 O O66 1 0.14843000 0.11132100 0.35687000 1.0 O O67 1 0.35157000 0.88867900 0.85687000 1.0 O O68 1 0.64313000 0.64843000 0.38867900 1.0 O O69 1 0.14313000 0.85157000 0.61132100 1.0 O O70 1 0.35687000 0.14843000 0.11132100 1.0 O O71 1 0.85687000 0.35157000 0.88867900 1.0 O O72 1 0.61132100 0.35687000 0.35157000 1.0 O O73 1 0.38867900 0.85687000 0.14843000 1.0 O O74 1 0.88867900 0.64313000 0.85157000 1.0 O O75 1 0.11132100 0.14313000 0.64843000 1.0 O O76 1 0.35157000 0.61132100 0.35687000 1.0 O O77 1 0.14843000 0.38867900 0.85687000 1.0 O O78 1 0.85157000 0.88867900 0.64313000 1.0 O O79 1 0.64843000 0.11132100 0.14313000 1.0 O O80 1 0.35687000 0.35157000 0.61132100 1.0 O O81 1 0.85687000 0.14843000 0.38867900 1.0 O O82 1 0.64313000 0.85157000 0.88867900 1.0 O O83 1 0.14313000 0.64843000 0.11132100 1.0 O O84 1 0.46995500 0.61602700 0.89194600 1.0 O O85 1 0.53004500 0.11602700 0.60805400 1.0 O O86 1 0.03004500 0.38397300 0.39194600 1.0 O O87 1 0.96995500 0.88397300 0.10805400 1.0 O O88 1 0.89194600 0.46995500 0.61602700 1.0 O O89 1 0.60805400 0.53004500 0.11602700 1.0 O O90 1 0.39194600 0.03004500 0.38397300 1.0 O O91 1 0.10805400 0.96995500 0.88397300 1.0 O O92 1 0.61602700 0.89194600 0.46995500 1.0 O O93 1 0.11602700 0.60805400 0.53004500 1.0 O O94 1 0.38397300 0.39194600 0.03004500 1.0 O O95 1 0.88397300 0.10805400 0.96995500 1.0 O O96 1 0.53004500 0.38397300 0.10805400 1.0 O O97 1 0.46995500 0.88397300 0.39194600 1.0 O O98 1 0.96995500 0.61602700 0.60805400 1.0 O O99 1 0.03004500 0.11602700 0.89194600 1.0 O O100 1 0.10805400 0.53004500 0.38397300 1.0 O O101 1 0.39194600 0.46995500 0.88397300 1.0 O O102 1 0.60805400 0.96995500 0.61602700 1.0 O O103 1 0.89194600 0.03004500 0.11602700 1.0 O O104 1 0.38397300 0.10805400 0.53004500 1.0 O O105 1 0.88397300 0.39194600 0.46995500 1.0 O O106 1 0.61602700 0.60805400 0.96995500 1.0 O O107 1 0.11602700 0.89194600 0.03004500 1.0