# generated using pymatgen data_CaNiWO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33934100 _cell_length_b 5.24234600 _cell_length_c 9.11102661 _cell_angle_alpha 55.07181109 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaNiWO6 _chemical_formula_sum 'Ca2 Ni2 W2 O12' _cell_volume 209.08640812 _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 Ca Ca0 1 0.69734100 0.76318600 0.74943200 1.0 Ca Ca1 1 0.30265900 0.76318600 0.24943200 1.0 Ni Ni2 1 0.74849800 0.00127300 0.00063100 1.0 Ni Ni3 1 0.25150200 0.00127300 0.50063100 1.0 W W4 1 0.23582600 0.50147800 0.99970100 1.0 W W5 1 0.76417400 0.50147800 0.49970100 1.0 O O6 1 0.74105300 0.67171900 0.24646900 1.0 O O7 1 0.23890600 0.32353800 0.25252900 1.0 O O8 1 0.76109400 0.32353800 0.75252900 1.0 O O9 1 0.25894700 0.67171900 0.74646900 1.0 O O10 1 0.54130800 0.25034700 0.04003400 1.0 O O11 1 0.04444900 0.75700800 0.45753000 1.0 O O12 1 0.95555100 0.75700800 0.95753000 1.0 O O13 1 0.45869200 0.25034700 0.54003400 1.0 O O14 1 0.46048700 0.83256500 0.96211500 1.0 O O15 1 0.96299800 0.16449100 0.53879100 1.0 O O16 1 0.03700200 0.16449100 0.03879100 1.0 O O17 1 0.53951300 0.83256500 0.46211500 1.0