# generated using pymatgen data_Yb2PIO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.47807321 _cell_length_b 7.82047593 _cell_length_c 8.64402125 _cell_angle_alpha 68.57339993 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Yb2PIO4 _chemical_formula_sum 'Yb8 P4 I4 O16' _cell_volume 533.51031333 _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 0.30168694 0.46802146 0.13574678 1.0 Yb Yb1 1 0.80168694 0.03197854 0.86425322 1.0 Yb Yb2 1 0.69831306 0.53197854 0.86425322 1.0 Yb Yb3 1 0.19831306 0.96802146 0.13574678 1.0 Yb Yb4 1 0.32472979 0.93987668 0.75943533 1.0 Yb Yb5 1 0.82472979 0.56012332 0.24056467 1.0 Yb Yb6 1 0.67527021 0.06012332 0.24056467 1.0 Yb Yb7 1 0.17527021 0.43987668 0.75943533 1.0 P P8 1 0.04873159 0.74338536 0.95819904 1.0 P P9 1 0.54873159 0.75661464 0.04180096 1.0 P P10 1 0.95126841 0.25661464 0.04180096 1.0 P P11 1 0.45126841 0.24338536 0.95819904 1.0 I I12 1 0.87563982 0.73860247 0.51574380 1.0 I I13 1 0.37563982 0.76139753 0.48425620 1.0 I I14 1 0.12436018 0.26139753 0.48425620 1.0 I I15 1 0.62436018 0.23860247 0.51574380 1.0 O O16 1 0.07923896 0.66330260 0.14703791 1.0 O O17 1 0.57923896 0.83669740 0.85296209 1.0 O O18 1 0.92076104 0.33669740 0.85296209 1.0 O O19 1 0.42076104 0.16330260 0.14703791 1.0 O O20 1 0.12615922 0.28628379 0.06572379 1.0 O O21 1 0.62615922 0.21371621 0.93427621 1.0 O O22 1 0.87384078 0.71371621 0.93427621 1.0 O O23 1 0.37384078 0.78628379 0.06572379 1.0 O O24 1 0.66499005 0.84138643 0.12867834 1.0 O O25 1 0.16499005 0.65861357 0.87132166 1.0 O O26 1 0.33500995 0.15861357 0.87132166 1.0 O O27 1 0.83500995 0.34138643 0.12867834 1.0 O O28 1 0.41815769 0.45054292 0.88977275 1.0 O O29 1 0.91815769 0.04945708 0.11022725 1.0 O O30 1 0.58184231 0.54945708 0.11022725 1.0 O O31 1 0.08184231 0.95054292 0.88977275 1.0