# CIF generated by HEAS from Alexandria entry agm003250488 data_agm003250488 _cell_length_a 16.48665 _cell_length_b 16.48665 _cell_length_c 4.15087 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 1128.24601 _symmetry_space_group_name_H-M 'P 1' _symmetry_Int_Tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba1 Ba 0.50000 0.50000 0.50000 1.00000 Ba2 Ba 0.00000 0.00000 0.00000 1.00000 Ba3 Ba 0.98103 0.79270 0.50000 1.00000 Ba4 Ba 0.01897 0.20730 0.50000 1.00000 Ba5 Ba 0.51897 0.29270 0.00000 1.00000 Ba6 Ba 0.48103 0.70730 0.00000 1.00000 Ba7 Ba 0.79270 0.98103 0.50000 1.00000 Ba8 Ba 0.20730 0.01897 0.50000 1.00000 Ba9 Ba 0.29270 0.51897 0.00000 1.00000 Ba10 Ba 0.70730 0.48103 0.00000 1.00000 Ba11 Ba 0.67546 0.67546 0.50000 1.00000 Ba12 Ba 0.32454 0.32454 0.50000 1.00000 Ba13 Ba 0.82454 0.17546 0.00000 1.00000 Ba14 Ba 0.17546 0.82454 0.00000 1.00000 Ba15 Ba 0.38200 0.88335 0.50000 1.00000 Ba16 Ba 0.61800 0.11665 0.50000 1.00000 Ba17 Ba 0.11800 0.38335 0.00000 1.00000 Ba18 Ba 0.88200 0.61665 0.00000 1.00000 Ba19 Ba 0.88335 0.38200 0.50000 1.00000 Ba20 Ba 0.11665 0.61800 0.50000 1.00000 Ba21 Ba 0.38335 0.11800 0.00000 1.00000 Ba22 Ba 0.61665 0.88200 0.00000 1.00000 C1 C 0.32195 0.67805 0.50000 1.00000 C2 C 0.67805 0.32195 0.50000 1.00000 C3 C 0.17805 0.17805 0.00000 1.00000 C4 C 0.82195 0.82195 0.00000 1.00000 N1 N 0.09553 0.90447 0.50000 1.00000 N2 N 0.90447 0.09553 0.50000 1.00000 N3 N 0.40447 0.40447 0.00000 1.00000 N4 N 0.59553 0.59553 0.00000 1.00000 N5 N 0.46406 0.18776 0.50000 1.00000 N6 N 0.53594 0.81224 0.50000 1.00000 N7 N 0.03594 0.68776 0.00000 1.00000 N8 N 0.96406 0.31224 0.00000 1.00000 N9 N 0.18776 0.46406 0.50000 1.00000 N10 N 0.81224 0.53594 0.50000 1.00000 N11 N 0.68776 0.03594 0.00000 1.00000 N12 N 0.31224 0.96406 0.00000 1.00000 N13 N 0.26869 0.73131 0.50000 1.00000 N14 N 0.73131 0.26869 0.50000 1.00000 N15 N 0.23131 0.23131 0.00000 1.00000 N16 N 0.76869 0.76869 0.00000 1.00000 N17 N 0.37550 0.62450 0.50000 1.00000 N18 N 0.62450 0.37550 0.50000 1.00000 N19 N 0.12450 0.12450 0.00000 1.00000 N20 N 0.87550 0.87550 0.00000 1.00000