# generated using pymatgen data_Ca2PrMn2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38990748 _cell_length_b 5.44956625 _cell_length_c 9.99850506 _cell_angle_alpha 74.17123805 _cell_angle_beta 90.00019240 _cell_angle_gamma 90.00025563 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2PrMn2O7 _chemical_formula_sum 'Ca4 Pr2 Mn4 O14' _cell_volume 282.54657137 _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 Ca Ca0 1 0.22905577 0.57706914 0.37179272 1.0 Ca Ca1 1 0.72904205 0.05077977 0.37177676 1.0 Ca Ca2 1 0.72906467 0.42292393 0.62821187 1.0 Ca Ca3 1 0.22904395 0.94921559 0.62822288 1.0 Pr Pr4 1 0.27026273 0.74980026 0.99998717 1.0 Pr Pr5 1 0.77026056 0.25019708 0.00001230 1.0 Mn Mn6 1 0.24935549 0.14900518 0.20418656 1.0 Mn Mn7 1 0.74933411 0.64634074 0.20414007 1.0 Mn Mn8 1 0.74936468 0.85099510 0.79582228 1.0 Mn Mn9 1 0.24933657 0.35366226 0.79585446 1.0 O O10 1 0.24404660 0.30657576 0.00001766 1.0 O O11 1 0.74403733 0.69343416 0.99998221 1.0 O O12 1 0.01898979 0.06701368 0.82830348 1.0 O O13 1 0.51904395 0.10501211 0.82829766 1.0 O O14 1 0.51902463 0.93297223 0.17169576 1.0 O O15 1 0.01902531 0.89496178 0.17169702 1.0 O O16 1 0.97533356 0.58451845 0.78407299 1.0 O O17 1 0.47538488 0.63192068 0.78405950 1.0 O O18 1 0.47534264 0.41550982 0.21593048 1.0 O O19 1 0.97535469 0.36809526 0.21593682 1.0 O O20 1 0.26005999 0.39632632 0.60371097 1.0 O O21 1 0.76008697 0.00049592 0.60365452 1.0 O O22 1 0.76006490 0.60367492 0.39627768 1.0 O O23 1 0.26008419 0.99949585 0.39635716 1.0