# generated using pymatgen data_Cr2(PO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.57350300 _cell_length_b 8.58508900 _cell_length_c 12.01558800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2(PO4)3 _chemical_formula_sum 'Cr8 P12 O48' _cell_volume 884.39877918 _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 Cr Cr0 1 0.75140700 0.53438600 0.88204900 1.0 Cr Cr1 1 0.75140700 0.96561400 0.11795100 1.0 Cr Cr2 1 0.74859300 0.03438600 0.61795100 1.0 Cr Cr3 1 0.74859300 0.46561400 0.38204900 1.0 Cr Cr4 1 0.25140700 0.53438600 0.61795100 1.0 Cr Cr5 1 0.25140700 0.96561400 0.38204900 1.0 Cr Cr6 1 0.24859300 0.03438600 0.88204900 1.0 Cr Cr7 1 0.24859300 0.46561400 0.11795100 1.0 P P8 1 0.96665900 0.75000000 0.50000000 1.0 P P9 1 0.89274100 0.89055700 0.85495500 1.0 P P10 1 0.89274100 0.60944300 0.14504500 1.0 P P11 1 0.60725900 0.39055700 0.64504500 1.0 P P12 1 0.60725900 0.10944300 0.35495500 1.0 P P13 1 0.53334100 0.25000000 0.00000000 1.0 P P14 1 0.46665900 0.75000000 0.00000000 1.0 P P15 1 0.39274100 0.89055700 0.64504500 1.0 P P16 1 0.39274100 0.60944300 0.35495500 1.0 P P17 1 0.10725900 0.39055700 0.85495500 1.0 P P18 1 0.10725900 0.10944300 0.14504500 1.0 P P19 1 0.03334100 0.25000000 0.50000000 1.0 O O20 1 0.93570600 0.14785100 0.57814000 1.0 O O21 1 0.93570600 0.35214900 0.42186000 1.0 O O22 1 0.92809700 0.40629700 0.84333200 1.0 O O23 1 0.92809700 0.09370300 0.15666800 1.0 O O24 1 0.85831700 0.84696100 0.57483300 1.0 O O25 1 0.85831700 0.65303900 0.42516700 1.0 O O26 1 0.85218300 0.72030400 0.82733700 1.0 O O27 1 0.85218300 0.77969600 0.17266300 1.0 O O28 1 0.83704300 0.93784700 0.97054200 1.0 O O29 1 0.83704300 0.56215300 0.02945800 1.0 O O30 1 0.82348300 0.00527900 0.76954700 1.0 O O31 1 0.82348300 0.49472100 0.23045300 1.0 O O32 1 0.67651700 0.50527900 0.73045300 1.0 O O33 1 0.67651700 0.99472100 0.26954700 1.0 O O34 1 0.66295700 0.43784700 0.52945800 1.0 O O35 1 0.66295700 0.06215300 0.47054200 1.0 O O36 1 0.64781700 0.22030400 0.67266300 1.0 O O37 1 0.64781700 0.27969600 0.32733700 1.0 O O38 1 0.64168300 0.34696100 0.92516700 1.0 O O39 1 0.64168300 0.15303900 0.07483300 1.0 O O40 1 0.57190300 0.90629700 0.65666800 1.0 O O41 1 0.57190300 0.59370300 0.34333200 1.0 O O42 1 0.56429400 0.64785100 0.92186000 1.0 O O43 1 0.56429400 0.85214900 0.07814000 1.0 O O44 1 0.43570600 0.14785100 0.92186000 1.0 O O45 1 0.43570600 0.35214900 0.07814000 1.0 O O46 1 0.42809700 0.40629700 0.65666800 1.0 O O47 1 0.42809700 0.09370300 0.34333200 1.0 O O48 1 0.35831700 0.84696100 0.92516700 1.0 O O49 1 0.35831700 0.65303900 0.07483300 1.0 O O50 1 0.35218300 0.72030400 0.67266300 1.0 O O51 1 0.35218300 0.77969600 0.32733700 1.0 O O52 1 0.33704300 0.93784700 0.52945800 1.0 O O53 1 0.33704300 0.56215300 0.47054200 1.0 O O54 1 0.32348300 0.00527900 0.73045300 1.0 O O55 1 0.32348300 0.49472100 0.26954700 1.0 O O56 1 0.17651700 0.50527900 0.76954700 1.0 O O57 1 0.17651700 0.99472100 0.23045300 1.0 O O58 1 0.16295700 0.43784700 0.97054200 1.0 O O59 1 0.16295700 0.06215300 0.02945800 1.0 O O60 1 0.14781700 0.22030400 0.82733700 1.0 O O61 1 0.14781700 0.27969600 0.17266300 1.0 O O62 1 0.14168300 0.34696100 0.57483300 1.0 O O63 1 0.14168300 0.15303900 0.42516700 1.0 O O64 1 0.07190300 0.90629700 0.84333200 1.0 O O65 1 0.07190300 0.59370300 0.15666800 1.0 O O66 1 0.06429400 0.64785100 0.57814000 1.0 O O67 1 0.06429400 0.85214900 0.42186000 1.0