# generated using pymatgen data_Ba2B(PO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.98194522 _cell_length_b 8.98194522 _cell_length_c 8.98194522 _cell_angle_alpha 131.70176771 _cell_angle_beta 131.70176771 _cell_angle_gamma 70.70046216 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2B(PO4)2 _chemical_formula_sum 'Ba4 B2 P4 O16' _cell_volume 395.68623084 _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 Ba Ba0 1 0.25259900 0.62500000 0.12759900 1.0 Ba Ba1 1 0.49740100 0.12500000 0.87240100 1.0 Ba Ba2 1 0.37500000 0.50259900 0.62759900 1.0 Ba Ba3 1 0.87500000 0.74740100 0.37240100 1.0 B B4 1 0.75000000 0.25000000 0.50000000 1.0 B B5 1 0.00000000 0.00000000 0.00000000 1.0 P P6 1 0.72455100 0.62500000 0.59955100 1.0 P P7 1 0.02544900 0.12500000 0.40044900 1.0 P P8 1 0.37500000 0.97455100 0.09955100 1.0 P P9 1 0.87500000 0.27544900 0.90044900 1.0 O O10 1 0.80037600 0.47118200 0.65824700 1.0 O O11 1 0.81293600 0.14212900 0.34175300 1.0 O O12 1 0.52881800 0.18706400 0.32919300 1.0 O O13 1 0.94962400 0.10787100 0.17080700 1.0 O O14 1 0.85787100 0.19962400 0.67080700 1.0 O O15 1 0.93706400 0.77881800 0.82919300 1.0 O O16 1 0.22118200 0.05037600 0.15824700 1.0 O O17 1 0.89212900 0.06293600 0.84175300 1.0 O O18 1 0.65787700 0.53472800 0.34240800 1.0 O O19 1 0.19232000 0.31546900 0.65759200 1.0 O O20 1 0.46527200 0.80768000 0.12314900 1.0 O O21 1 0.09212300 0.93453100 0.37685100 1.0 O O22 1 0.68453100 0.34212300 0.87685100 1.0 O O23 1 0.55768000 0.71527200 0.62314900 1.0 O O24 1 0.28472800 0.90787700 0.84240800 1.0 O O25 1 0.06546900 0.44232000 0.15759200 1.0