# generated using pymatgen data_Cs4Sr3(PO3)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.65121733 _cell_length_b 13.65121733 _cell_length_c 13.65121733 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs4Sr3(PO3)12 _chemical_formula_sum 'Cs8 Sr6 P24 O72' _cell_volume 1958.35874424 _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 Cs Cs0 1 0.23234900 0.50000000 0.00000000 1.0 Cs Cs1 1 0.50000000 0.00000000 0.23234900 1.0 Cs Cs2 1 0.00000000 0.23234900 0.50000000 1.0 Cs Cs3 1 0.26765100 0.26765100 0.26765100 1.0 Cs Cs4 1 0.50000000 0.00000000 0.73234900 1.0 Cs Cs5 1 0.73234900 0.50000000 0.00000000 1.0 Cs Cs6 1 0.00000000 0.73234900 0.50000000 1.0 Cs Cs7 1 0.76765100 0.76765100 0.76765100 1.0 Sr Sr8 1 0.37500000 0.25000000 0.62500000 1.0 Sr Sr9 1 0.12500000 0.75000000 0.87500000 1.0 Sr Sr10 1 0.25000000 0.62500000 0.37500000 1.0 Sr Sr11 1 0.75000000 0.87500000 0.12500000 1.0 Sr Sr12 1 0.62500000 0.37500000 0.25000000 1.0 Sr Sr13 1 0.87500000 0.12500000 0.75000000 1.0 P P14 1 0.17991000 0.76007100 0.17513800 1.0 P P15 1 0.41506800 0.73992900 0.91983900 1.0 P P16 1 0.08493200 0.00477200 0.32486200 1.0 P P17 1 0.32009000 0.49522800 0.58016100 1.0 P P18 1 0.67513800 0.26007100 0.67991000 1.0 P P19 1 0.41983900 0.23992900 0.91506800 1.0 P P20 1 0.82486200 0.50477200 0.58493200 1.0 P P21 1 0.08016100 0.99522800 0.82009000 1.0 P P22 1 0.76007100 0.17513800 0.17991000 1.0 P P23 1 0.73992900 0.91983900 0.41506800 1.0 P P24 1 0.00477200 0.32486200 0.08493200 1.0 P P25 1 0.49522800 0.58016100 0.32009000 1.0 P P26 1 0.26007100 0.67991000 0.67513800 1.0 P P27 1 0.23992900 0.91506800 0.41983900 1.0 P P28 1 0.50477200 0.58493200 0.82486200 1.0 P P29 1 0.99522800 0.82009000 0.08016100 1.0 P P30 1 0.17513800 0.17991000 0.76007100 1.0 P P31 1 0.91983900 0.41506800 0.73992900 1.0 P P32 1 0.32486200 0.08493200 0.00477200 1.0 P P33 1 0.58016100 0.32009000 0.49522800 1.0 P P34 1 0.67991000 0.67513800 0.26007100 1.0 P P35 1 0.91506800 0.41983900 0.23992900 1.0 P P36 1 0.58493200 0.82486200 0.50477200 1.0 P P37 1 0.82009000 0.08016100 0.99522800 1.0 O O38 1 0.95448800 0.19624100 0.08139100 1.0 O O39 1 0.88515000 0.30375900 0.25824800 1.0 O O40 1 0.61485000 0.87309800 0.41860900 1.0 O O41 1 0.54551200 0.62690200 0.24175200 1.0 O O42 1 0.58139100 0.69624100 0.45448800 1.0 O O43 1 0.75824800 0.80375900 0.38515000 1.0 O O44 1 0.91860900 0.37309800 0.11485000 1.0 O O45 1 0.74175200 0.12690200 0.04551200 1.0 O O46 1 0.19624100 0.08139100 0.95448800 1.0 O O47 1 0.30375900 0.25824800 0.88515000 1.0 O O48 1 0.87309800 0.41860900 0.61485000 1.0 O O49 1 0.62690200 0.24175200 0.54551200 1.0 O O50 1 0.69624100 0.45448800 0.58139100 1.0 O O51 1 0.80375900 0.38515000 0.75824800 1.0 O O52 1 0.37309800 0.11485000 0.91860900 1.0 O O53 1 0.12690200 0.04551200 0.74175200 1.0 O O54 1 0.08139100 0.95448800 0.19624100 1.0 O O55 1 0.25824800 0.88515000 0.30375900 1.0 O O56 1 0.41860900 0.61485000 0.87309800 1.0 O O57 1 0.24175200 0.54551200 0.62690200 1.0 O O58 1 0.45448800 0.58139100 0.69624100 1.0 O O59 1 0.38515000 0.75824800 0.80375900 1.0 O O60 1 0.11485000 0.91860900 0.37309800 1.0 O O61 1 0.04551200 0.74175200 0.12690200 1.0 O O62 1 0.13064400 0.40146100 0.18884600 1.0 O O63 1 0.78738400 0.09853900 0.22918200 1.0 O O64 1 0.71261600 0.94179800 0.31115400 1.0 O O65 1 0.36935600 0.55820200 0.27081800 1.0 O O66 1 0.68884600 0.90146100 0.63064400 1.0 O O67 1 0.72918200 0.59853900 0.28738400 1.0 O O68 1 0.81115400 0.44179800 0.21261600 1.0 O O69 1 0.77081800 0.05820200 0.86935600 1.0 O O70 1 0.40146100 0.18884600 0.13064400 1.0 O O71 1 0.09853900 0.22918200 0.78738400 1.0 O O72 1 0.94179800 0.31115400 0.71261600 1.0 O O73 1 0.55820200 0.27081800 0.36935600 1.0 O O74 1 0.90146100 0.63064400 0.68884600 1.0 O O75 1 0.59853900 0.28738400 0.72918200 1.0 O O76 1 0.44179800 0.21261600 0.81115400 1.0 O O77 1 0.05820200 0.86935600 0.77081800 1.0 O O78 1 0.18884600 0.13064400 0.40146100 1.0 O O79 1 0.22918200 0.78738400 0.09853900 1.0 O O80 1 0.31115400 0.71261600 0.94179800 1.0 O O81 1 0.27081800 0.36935600 0.55820200 1.0 O O82 1 0.63064400 0.68884600 0.90146100 1.0 O O83 1 0.28738400 0.72918200 0.59853900 1.0 O O84 1 0.21261600 0.81115400 0.44179800 1.0 O O85 1 0.86935600 0.77081800 0.05820200 1.0 O O86 1 0.69377900 0.15649800 0.67529600 1.0 O O87 1 0.51879700 0.34350200 0.03728100 1.0 O O88 1 0.98120300 0.01848300 0.82470400 1.0 O O89 1 0.80622100 0.48151700 0.46271900 1.0 O O90 1 0.17529600 0.65649800 0.19377900 1.0 O O91 1 0.53728100 0.84350200 0.01879700 1.0 O O92 1 0.32470400 0.51848300 0.48120300 1.0 O O93 1 0.96271900 0.98151700 0.30622100 1.0 O O94 1 0.15649800 0.67529600 0.69377900 1.0 O O95 1 0.34350200 0.03728100 0.51879700 1.0 O O96 1 0.01848300 0.82470400 0.98120300 1.0 O O97 1 0.48151700 0.46271900 0.80622100 1.0 O O98 1 0.65649800 0.19377900 0.17529600 1.0 O O99 1 0.84350200 0.01879700 0.53728100 1.0 O O100 1 0.51848300 0.48120300 0.32470400 1.0 O O101 1 0.98151700 0.30622100 0.96271900 1.0 O O102 1 0.67529600 0.69377900 0.15649800 1.0 O O103 1 0.03728100 0.51879700 0.34350200 1.0 O O104 1 0.82470400 0.98120300 0.01848300 1.0 O O105 1 0.46271900 0.80622100 0.48151700 1.0 O O106 1 0.19377900 0.17529600 0.65649800 1.0 O O107 1 0.01879700 0.53728100 0.84350200 1.0 O O108 1 0.48120300 0.32470400 0.51848300 1.0 O O109 1 0.30622100 0.96271900 0.98151700 1.0