# generated using pymatgen data_LiYb(PO3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.76619756 _cell_length_b 8.76619756 _cell_length_c 9.44045905 _cell_angle_alpha 57.47453340 _cell_angle_beta 57.47453340 _cell_angle_gamma 46.91850837 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiYb(PO3)4 _chemical_formula_sum 'Li2 Yb2 P8 O24' _cell_volume 429.31002264 _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 Li Li0 1 0.29285871 0.70714129 0.75000000 1.0 Li Li1 1 0.70714129 0.29285871 0.25000000 1.0 Yb Yb2 1 0.20292872 0.79707128 0.25000000 1.0 Yb Yb3 1 0.79707128 0.20292872 0.75000000 1.0 P P4 1 0.68763694 0.58518682 0.88373762 1.0 P P5 1 0.70770804 0.00273358 0.19285772 1.0 P P6 1 0.99726642 0.29229196 0.30714228 1.0 P P7 1 0.00273358 0.70770804 0.69285772 1.0 P P8 1 0.29229196 0.99726642 0.80714228 1.0 P P9 1 0.41481318 0.31236306 0.61626238 1.0 P P10 1 0.58518682 0.68763694 0.38373762 1.0 P P11 1 0.31236306 0.41481318 0.11626238 1.0 O O12 1 0.99127508 0.75637100 0.52100510 1.0 O O13 1 0.52688263 0.78265158 0.76560913 1.0 O O14 1 0.17830911 0.33120101 0.15082924 1.0 O O15 1 0.21734842 0.47311737 0.73439087 1.0 O O16 1 0.56152523 0.56695969 0.57349097 1.0 O O17 1 0.47311737 0.21734842 0.23439087 1.0 O O18 1 0.60395660 0.17253138 0.68540903 1.0 O O19 1 0.39604340 0.82746862 0.31459097 1.0 O O20 1 0.33120101 0.17830911 0.65082924 1.0 O O21 1 0.01019007 0.85257620 0.72211763 1.0 O O22 1 0.43847477 0.43304031 0.42650903 1.0 O O23 1 0.78265158 0.52688263 0.26560913 1.0 O O24 1 0.66879899 0.82169089 0.34917076 1.0 O O25 1 0.75637100 0.99127508 0.02100510 1.0 O O26 1 0.14742380 0.98980993 0.77788237 1.0 O O27 1 0.82169089 0.66879899 0.84917076 1.0 O O28 1 0.56695969 0.56152523 0.07349097 1.0 O O29 1 0.17253138 0.60395660 0.18540903 1.0 O O30 1 0.98980993 0.14742380 0.27788237 1.0 O O31 1 0.00872492 0.24362900 0.47899490 1.0 O O32 1 0.82746862 0.39604340 0.81459097 1.0 O O33 1 0.85257620 0.01019007 0.22211763 1.0 O O34 1 0.24362900 0.00872492 0.97899490 1.0 O O35 1 0.43304031 0.43847477 0.92650903 1.0