# generated using pymatgen data_Co(PO3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.40770500 _cell_length_b 9.26223800 _cell_length_c 12.81841400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co(PO3)4 _chemical_formula_sum 'Co4 P16 O48' _cell_volume 998.22328359 _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 Co Co0 1 0.85901700 0.75000000 0.50000000 1.0 Co Co1 1 0.35901700 0.75000000 0.00000000 1.0 Co Co2 1 0.14098300 0.25000000 0.50000000 1.0 Co Co3 1 0.64098300 0.25000000 0.00000000 1.0 P P4 1 0.96426100 0.48729000 0.64885600 1.0 P P5 1 0.18372300 0.99227500 0.85702900 1.0 P P6 1 0.18372300 0.50772500 0.14297100 1.0 P P7 1 0.68372300 0.50772500 0.35702900 1.0 P P8 1 0.46426100 0.01271000 0.14885600 1.0 P P9 1 0.03573900 0.51271000 0.35114400 1.0 P P10 1 0.81627700 0.49227500 0.85702900 1.0 P P11 1 0.68372300 0.99227500 0.64297100 1.0 P P12 1 0.96426100 0.01271000 0.35114400 1.0 P P13 1 0.53573900 0.98729000 0.85114400 1.0 P P14 1 0.31627700 0.49227500 0.64297100 1.0 P P15 1 0.81627700 0.00772500 0.14297100 1.0 P P16 1 0.31627700 0.00772500 0.35702900 1.0 P P17 1 0.03573900 0.98729000 0.64885600 1.0 P P18 1 0.46426100 0.48729000 0.85114400 1.0 P P19 1 0.53573900 0.51271000 0.14885600 1.0 O O20 1 0.19871400 0.86566200 0.93277900 1.0 O O21 1 0.09522000 0.37959500 0.10488500 1.0 O O22 1 0.86899100 0.87954400 0.37544700 1.0 O O23 1 0.47143000 0.13150000 0.06845000 1.0 O O24 1 0.19871400 0.63433800 0.06722100 1.0 O O25 1 0.02857000 0.63150000 0.43155000 1.0 O O26 1 0.09522000 0.12040500 0.89511500 1.0 O O27 1 0.97143000 0.13150000 0.43155000 1.0 O O28 1 0.02857000 0.86850000 0.56845000 1.0 O O29 1 0.89318300 0.07967500 0.24597800 1.0 O O30 1 0.80128600 0.13433800 0.06722100 1.0 O O31 1 0.14039400 0.96526900 0.31645200 1.0 O O32 1 0.35960600 0.46526900 0.18354800 1.0 O O33 1 0.69871400 0.63433800 0.43277900 1.0 O O34 1 0.14039400 0.53473100 0.68354800 1.0 O O35 1 0.86899100 0.62045600 0.62455300 1.0 O O36 1 0.39318300 0.42032500 0.74597800 1.0 O O37 1 0.10681700 0.57967500 0.24597800 1.0 O O38 1 0.40478000 0.87959500 0.39511500 1.0 O O39 1 0.63100900 0.37954400 0.12455300 1.0 O O40 1 0.59522000 0.12040500 0.60488500 1.0 O O41 1 0.40478000 0.62040500 0.60488500 1.0 O O42 1 0.35960600 0.03473100 0.81645200 1.0 O O43 1 0.90478000 0.87959500 0.10488500 1.0 O O44 1 0.85960600 0.03473100 0.68354800 1.0 O O45 1 0.30128600 0.13433800 0.43277900 1.0 O O46 1 0.85960600 0.46526900 0.31645200 1.0 O O47 1 0.64039400 0.96526900 0.18354800 1.0 O O48 1 0.13100900 0.12045600 0.62455300 1.0 O O49 1 0.69871400 0.86566200 0.56722100 1.0 O O50 1 0.47143000 0.36850000 0.93155000 1.0 O O51 1 0.80128600 0.36566200 0.93277900 1.0 O O52 1 0.52857000 0.86850000 0.93155000 1.0 O O53 1 0.63100900 0.12045600 0.87544700 1.0 O O54 1 0.90478000 0.62040500 0.89511500 1.0 O O55 1 0.60681700 0.92032500 0.74597800 1.0 O O56 1 0.13100900 0.37954400 0.37544700 1.0 O O57 1 0.52857000 0.63150000 0.06845000 1.0 O O58 1 0.97143000 0.36850000 0.56845000 1.0 O O59 1 0.10681700 0.92032500 0.75402200 1.0 O O60 1 0.39318300 0.07967500 0.25402200 1.0 O O61 1 0.36899100 0.87954400 0.12455300 1.0 O O62 1 0.60681700 0.57967500 0.25402200 1.0 O O63 1 0.64039400 0.53473100 0.81645200 1.0 O O64 1 0.59522000 0.37959500 0.39511500 1.0 O O65 1 0.89318300 0.42032500 0.75402200 1.0 O O66 1 0.36899100 0.62045600 0.87544700 1.0 O O67 1 0.30128600 0.36566200 0.56722100 1.0