# generated using pymatgen data_Ba(PO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.93563670 _cell_length_b 7.53721335 _cell_length_c 11.81361672 _cell_angle_alpha 55.14817960 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba(PO3)2 _chemical_formula_sum 'Ba4 P8 O24' _cell_volume 506.79093621 _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 Ba Ba0 1 0.09702996 0.32029652 0.82352737 1.0 Ba Ba1 1 0.40297004 0.32029652 0.32352737 1.0 Ba Ba2 1 0.59702996 0.67970348 0.67647263 1.0 Ba Ba3 1 0.90297004 0.67970348 0.17647263 1.0 P P4 1 0.10673550 0.95587179 0.66411338 1.0 P P5 1 0.20431092 0.70745981 0.42178618 1.0 P P6 1 0.60673550 0.04412821 0.83588662 1.0 P P7 1 0.79568908 0.29254019 0.57821382 1.0 P P8 1 0.70431092 0.29254019 0.07821382 1.0 P P9 1 0.29568908 0.70745981 0.92178618 1.0 P P10 1 0.39326450 0.95587179 0.16411338 1.0 P P11 1 0.89326450 0.04412821 0.33588662 1.0 O O12 1 0.22519196 0.61464487 0.06333930 1.0 O O13 1 0.02867443 0.21171829 0.31629266 1.0 O O14 1 0.49863945 0.18074961 0.10226413 1.0 O O15 1 0.99863945 0.81925039 0.39773587 1.0 O O16 1 0.15913711 0.90676777 0.81464190 1.0 O O17 1 0.34086289 0.90676777 0.31464190 1.0 O O18 1 0.00136055 0.18074961 0.60226413 1.0 O O19 1 0.81773247 0.43504743 0.62711811 1.0 O O20 1 0.72519196 0.38535513 0.43666070 1.0 O O21 1 0.84086289 0.09323223 0.18535810 1.0 O O22 1 0.77480804 0.38535513 0.93666070 1.0 O O23 1 0.79040570 0.00134640 0.91257392 1.0 O O24 1 0.27480804 0.61464487 0.56333930 1.0 O O25 1 0.18226753 0.56495257 0.37288189 1.0 O O26 1 0.52867443 0.78828171 0.18370734 1.0 O O27 1 0.70959430 0.00134640 0.41257392 1.0 O O28 1 0.29040570 0.99865360 0.58742608 1.0 O O29 1 0.65913711 0.09323223 0.68535810 1.0 O O30 1 0.47132557 0.21171829 0.81629266 1.0 O O31 1 0.50136055 0.81925039 0.89773587 1.0 O O32 1 0.20959430 0.99865360 0.08742608 1.0 O O33 1 0.31773247 0.56495257 0.87288189 1.0 O O34 1 0.97132557 0.78828171 0.68370734 1.0 O O35 1 0.68226753 0.43504743 0.12711811 1.0