# generated using pymatgen data_YbSiNiO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77068788 _cell_length_b 6.30846369 _cell_length_c 10.77176736 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbSiNiO4 _chemical_formula_sum 'Yb4 Si4 Ni4 O16' _cell_volume 324.18399993 _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 Yb Yb0 1 0.47084639 0.49999900 0.22672378 1.0 Yb Yb1 1 0.97084639 0.00000000 0.27327722 1.0 Yb Yb2 1 0.02915261 0.49999900 0.72672178 1.0 Yb Yb3 1 0.52915461 0.00000000 0.77327822 1.0 Si Si4 1 0.41190235 0.00000000 0.08005001 1.0 Si Si5 1 0.91190535 0.49999900 0.41995099 1.0 Si Si6 1 0.08809565 0.00000000 0.58004901 1.0 Si Si7 1 0.58809465 0.49999900 0.91995099 1.0 Ni Ni8 1 0.00000000 0.25000100 0.00000000 1.0 Ni Ni9 1 0.00000000 0.75000000 0.00000000 1.0 Ni Ni10 1 0.50000200 0.25000100 0.50000100 1.0 Ni Ni11 1 0.50000200 0.75000000 0.50000100 1.0 O O12 1 0.74653140 0.49999900 0.05666583 1.0 O O13 1 0.75165126 0.00000000 0.07645526 1.0 O O14 1 0.27521402 0.20601266 0.14971169 1.0 O O15 1 0.27521402 0.79398734 0.14971169 1.0 O O16 1 0.77521602 0.29399034 0.35028931 1.0 O O17 1 0.77521602 0.70600866 0.35028931 1.0 O O18 1 0.25165126 0.49999900 0.42354474 1.0 O O19 1 0.24653240 0.00000000 0.44333317 1.0 O O20 1 0.75346860 0.49999900 0.55666583 1.0 O O21 1 0.74834774 0.00000000 0.57645626 1.0 O O22 1 0.22478498 0.20601266 0.64971169 1.0 O O23 1 0.22478498 0.79398734 0.64971169 1.0 O O24 1 0.72478698 0.29399034 0.85028831 1.0 O O25 1 0.72478698 0.70600866 0.85028831 1.0 O O26 1 0.24834774 0.49999900 0.92354474 1.0 O O27 1 0.25346960 0.00000000 0.94333517 1.0