# generated using pymatgen data_Pr(BO2)5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.37084200 _cell_length_b 6.55935900 _cell_length_c 11.22540007 _cell_angle_alpha 66.19028407 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr(BO2)5 _chemical_formula_sum 'Pr4 B20 O40' _cell_volume 698.62915909 _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 Pr Pr0 1 0.14208600 0.23116700 0.12807700 1.0 Pr Pr1 1 0.64208600 0.76883300 0.37192300 1.0 Pr Pr2 1 0.85791400 0.76883300 0.87192300 1.0 Pr Pr3 1 0.35791400 0.23116700 0.62807700 1.0 B B4 1 0.31976400 0.44361000 0.83163500 1.0 B B5 1 0.81976400 0.55639000 0.66836500 1.0 B B6 1 0.68023600 0.55639000 0.16836500 1.0 B B7 1 0.18023600 0.44361000 0.33163500 1.0 B B8 1 0.37184300 0.74895700 0.60197800 1.0 B B9 1 0.87184300 0.25104300 0.89802200 1.0 B B10 1 0.62815700 0.25104300 0.39802200 1.0 B B11 1 0.12815700 0.74895700 0.10197800 1.0 B B12 1 0.15531600 0.70281300 0.88132100 1.0 B B13 1 0.65531600 0.29718700 0.61867900 1.0 B B14 1 0.84468400 0.29718700 0.11867900 1.0 B B15 1 0.34468400 0.70281300 0.38132100 1.0 B B16 1 0.00680700 0.30913200 0.70098400 1.0 B B17 1 0.50680700 0.69086800 0.79901600 1.0 B B18 1 0.99319300 0.69086800 0.29901600 1.0 B B19 1 0.49319300 0.30913200 0.20098400 1.0 B B20 1 0.26237600 0.01084600 0.91817300 1.0 B B21 1 0.76237600 0.98915400 0.58182700 1.0 B B22 1 0.73762400 0.98915400 0.08182700 1.0 B B23 1 0.23762400 0.01084600 0.41817300 1.0 O O24 1 0.44241100 0.50189100 0.87346000 1.0 O O25 1 0.94241100 0.49810900 0.62654000 1.0 O O26 1 0.55758900 0.49810900 0.12654000 1.0 O O27 1 0.05758900 0.50189100 0.37346000 1.0 O O28 1 0.30115900 0.55751600 0.69044500 1.0 O O29 1 0.80115900 0.44248400 0.80955500 1.0 O O30 1 0.69884100 0.44248400 0.30955500 1.0 O O31 1 0.19884100 0.55751600 0.19044500 1.0 O O32 1 0.21031600 0.48136300 0.90655100 1.0 O O33 1 0.71031600 0.51863700 0.59344900 1.0 O O34 1 0.78968400 0.51863700 0.09344900 1.0 O O35 1 0.28968400 0.48136300 0.40655100 1.0 O O36 1 0.11033500 0.23914500 0.64948700 1.0 O O37 1 0.61033500 0.76085500 0.85051300 1.0 O O38 1 0.88966500 0.76085500 0.35051300 1.0 O O39 1 0.38966500 0.23914500 0.14948700 1.0 O O40 1 0.29070000 0.95414900 0.53920700 1.0 O O41 1 0.79070000 0.04585100 0.96079300 1.0 O O42 1 0.70930000 0.04585100 0.46079300 1.0 O O43 1 0.20930000 0.95414900 0.03920700 1.0 O O44 1 0.32513900 0.20594500 0.85363300 1.0 O O45 1 0.82513900 0.79405500 0.64636700 1.0 O O46 1 0.67486100 0.79405500 0.14636700 1.0 O O47 1 0.17486100 0.20594500 0.35363300 1.0 O O48 1 0.92340900 0.31621900 0.00099100 1.0 O O49 1 0.42340900 0.68378100 0.49900900 1.0 O O50 1 0.07659100 0.68378100 0.99900900 1.0 O O51 1 0.57659100 0.31621900 0.50099100 1.0 O O52 1 0.74544100 0.12242000 0.15029900 1.0 O O53 1 0.24544100 0.87758000 0.34970100 1.0 O O54 1 0.25455900 0.87758000 0.84970100 1.0 O O55 1 0.75455900 0.12242000 0.65029900 1.0 O O56 1 0.02832300 0.82573200 0.17087200 1.0 O O57 1 0.52832300 0.17426800 0.32912800 1.0 O O58 1 0.97167700 0.17426800 0.82912800 1.0 O O59 1 0.47167700 0.82573200 0.67087200 1.0 O O60 1 0.93327400 0.24574100 0.22571400 1.0 O O61 1 0.43327400 0.75425900 0.27428600 1.0 O O62 1 0.06672600 0.75425900 0.77428600 1.0 O O63 1 0.56672600 0.24574100 0.72571400 1.0