# generated using pymatgen data_Cr2P3O11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.06329983 _cell_length_b 7.06329993 _cell_length_c 8.67840091 _cell_angle_alpha 71.08327949 _cell_angle_beta 108.91672626 _cell_angle_gamma 107.47451043 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2P3O11 _chemical_formula_sum 'Cr4 P6 O22' _cell_volume 378.13387411 _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 Cr Cr0 1 0.88714657 0.63510514 0.03973681 1.0 Cr Cr1 1 0.36472722 0.11271024 0.53973765 1.0 Cr Cr2 1 0.11271024 0.36472722 0.96026235 1.0 Cr Cr3 1 0.63510514 0.88714657 0.46026319 1.0 P P4 1 0.95764596 0.95764596 0.25000000 1.0 P P5 1 0.32631073 0.54629028 0.29033017 1.0 P P6 1 0.45354400 0.67351423 0.79032665 1.0 P P7 1 0.54629028 0.32631073 0.20966983 1.0 P P8 1 0.04222323 0.04222323 0.75000000 1.0 P P9 1 0.67351423 0.45354400 0.70967335 1.0 O O10 1 0.05201758 0.24321278 0.78648108 1.0 O O11 1 0.36822500 0.27870417 0.06428520 1.0 O O12 1 0.94786475 0.75665347 0.21355529 1.0 O O13 1 0.24672546 0.61854758 0.82468432 1.0 O O14 1 0.15130639 0.53155456 0.12838352 1.0 O O15 1 0.86676310 0.02001265 0.59534993 1.0 O O16 1 0.27870417 0.36822500 0.43571480 1.0 O O17 1 0.48029286 0.48029286 0.75000000 1.0 O O18 1 0.84857977 0.46821090 0.87159036 1.0 O O19 1 0.53155456 0.15130639 0.37161648 1.0 O O20 1 0.75306804 0.38123600 0.17532553 1.0 O O21 1 0.75665347 0.94786475 0.28644471 1.0 O O22 1 0.24321278 0.05201758 0.71351892 1.0 O O23 1 0.46821090 0.84857977 0.62840964 1.0 O O24 1 0.97987539 0.13312843 0.09534172 1.0 O O25 1 0.13312843 0.97987539 0.40465828 1.0 O O26 1 0.51949458 0.51949458 0.25000000 1.0 O O27 1 0.38123600 0.75306804 0.32467447 1.0 O O28 1 0.63158208 0.72114887 0.93567777 1.0 O O29 1 0.61854758 0.24672546 0.67531568 1.0 O O30 1 0.72114887 0.63158208 0.56432223 1.0 O O31 1 0.02001265 0.86676310 0.90465007 1.0