# generated using pymatgen data_Cr3P3O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.25566900 _cell_length_b 7.44698884 _cell_length_c 10.53036732 _cell_angle_alpha 99.88949478 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr3P3O13 _chemical_formula_sum 'Cr6 P6 O26' _cell_volume 483.27719843 _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 0.25000000 0.36979500 0.19535700 1.0 Cr Cr1 1 0.75000000 0.63020500 0.80464300 1.0 Cr Cr2 1 0.25000000 0.77517900 0.44411500 1.0 Cr Cr3 1 0.50000000 0.00000000 0.00000000 1.0 Cr Cr4 1 0.75000000 0.22482100 0.55588500 1.0 Cr Cr5 1 0.00000000 0.00000000 0.00000000 1.0 P P6 1 0.25000000 0.21350800 0.47597500 1.0 P P7 1 0.75000000 0.78649200 0.52402500 1.0 P P8 1 0.25000000 0.74428700 0.76615000 1.0 P P9 1 0.75000000 0.25571300 0.23385000 1.0 P P10 1 0.75000000 0.30424200 0.88042300 1.0 P P11 1 0.25000000 0.69575800 0.11957700 1.0 O O12 1 0.75000000 0.34682200 0.73891200 1.0 O O13 1 0.55368100 0.74108700 0.43621700 1.0 O O14 1 0.25000000 0.80367600 0.63464900 1.0 O O15 1 0.54604700 0.20675900 0.90931900 1.0 O O16 1 0.75000000 0.65871200 0.62447600 1.0 O O17 1 0.75000000 0.87192300 0.90828100 1.0 O O18 1 0.25000000 0.34128800 0.37552400 1.0 O O19 1 0.04604700 0.79324100 0.09068100 1.0 O O20 1 0.25000000 0.01353500 0.40346500 1.0 O O21 1 0.75000000 0.98646500 0.59653500 1.0 O O22 1 0.05364500 0.63055900 0.78915400 1.0 O O23 1 0.25000000 0.12807700 0.09171900 1.0 O O24 1 0.55364500 0.36944100 0.21084600 1.0 O O25 1 0.75000000 0.51130500 0.94991900 1.0 O O26 1 0.75000000 0.19632400 0.36535100 1.0 O O27 1 0.45395300 0.79324100 0.09068100 1.0 O O28 1 0.94631900 0.74108700 0.43621700 1.0 O O29 1 0.44631900 0.25891300 0.56378300 1.0 O O30 1 0.44635500 0.63055900 0.78915400 1.0 O O31 1 0.25000000 0.65317800 0.26108800 1.0 O O32 1 0.75000000 0.08042000 0.12352400 1.0 O O33 1 0.25000000 0.91958000 0.87647600 1.0 O O34 1 0.94635500 0.36944100 0.21084600 1.0 O O35 1 0.95395300 0.20675900 0.90931900 1.0 O O36 1 0.05368100 0.25891300 0.56378300 1.0 O O37 1 0.25000000 0.48869500 0.05008100 1.0