# CIF generated by HEAS from Alexandria entry agm001820003 data_agm001820003 _cell_length_a 16.34334 _cell_length_b 16.34334 _cell_length_c 16.34334 _cell_angle_alpha 109.47122 _cell_angle_beta 109.47122 _cell_angle_gamma 109.47122 _cell_volume 3360.47270 _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 La1 La 0.75000 0.37500 0.12500 1.00000 La2 La 0.87500 0.75000 0.12500 1.00000 La3 La 0.37500 0.75000 0.62500 1.00000 La4 La 0.25000 0.12500 0.37500 1.00000 La5 La 0.87500 0.12500 0.25000 1.00000 La6 La 0.37500 0.62500 0.25000 1.00000 La7 La 0.62500 0.37500 0.75000 1.00000 La8 La 0.12500 0.87500 0.75000 1.00000 La9 La 0.75000 0.87500 0.62500 1.00000 La10 La 0.62500 0.25000 0.37500 1.00000 La11 La 0.12500 0.25000 0.87500 1.00000 La12 La 0.25000 0.62500 0.87500 1.00000 H1 H 0.12500 0.37500 0.25000 1.00000 H2 H 0.00000 0.50000 0.00000 1.00000 H3 H 0.00000 0.00000 0.00000 1.00000 H4 H 0.37500 0.25000 0.12500 1.00000 H5 H 0.50000 0.00000 0.50000 1.00000 H6 H 0.50000 0.50000 0.00000 1.00000 H7 H 0.12500 0.75000 0.37500 1.00000 H8 H 0.75000 0.12500 0.87500 1.00000 H9 H 0.75000 0.62500 0.37500 1.00000 H10 H 0.37500 0.12500 0.75000 1.00000 H11 H 0.62500 0.87500 0.25000 1.00000 H12 H 0.50000 0.50000 0.50000 1.00000 H13 H 0.50000 0.00000 0.00000 1.00000 H14 H 0.00000 0.00000 0.50000 1.00000 H15 H 0.25000 0.37500 0.62500 1.00000 H16 H 0.25000 0.87500 0.12500 1.00000 H17 H 0.00000 0.50000 0.50000 1.00000 H18 H 0.87500 0.25000 0.62500 1.00000 H19 H 0.62500 0.75000 0.87500 1.00000 H20 H 0.87500 0.62500 0.75000 1.00000 Ba1 Ba 0.69467 0.10524 0.00323 1.00000 Ba2 Ba 0.30856 0.50323 0.39799 1.00000 Ba3 Ba 0.99677 0.39476 0.30533 1.00000 Ba4 Ba 0.50323 0.19467 0.10524 1.00000 Ba5 Ba 0.58943 0.69467 0.69144 1.00000 Ba6 Ba 0.99677 0.60201 0.19144 1.00000 Ba7 Ba 0.30856 0.80533 0.41057 1.00000 Ba8 Ba 0.10201 0.91057 0.10524 1.00000 Ba9 Ba 0.60201 0.99677 0.69144 1.00000 Ba10 Ba 0.69467 0.58943 0.19144 1.00000 Ba11 Ba 0.80533 0.49677 0.39476 1.00000 Ba12 Ba 0.80856 0.89799 0.00323 1.00000 Ba13 Ba 0.10524 0.69467 0.50323 1.00000 Ba14 Ba 0.39476 0.39799 0.08943 1.00000 Ba15 Ba 0.08943 0.89799 0.39476 1.00000 Ba16 Ba 0.41057 0.10524 0.60201 1.00000 Ba17 Ba 0.08943 0.19144 0.19467 1.00000 Ba18 Ba 0.49677 0.69144 0.10201 1.00000 Ba19 Ba 0.80856 0.91057 0.30533 1.00000 Ba20 Ba 0.10524 0.41057 0.10201 1.00000 Ba21 Ba 0.39476 0.99677 0.80533 1.00000 Ba22 Ba 0.60201 0.60524 0.41057 1.00000 Ba23 Ba 0.89799 0.80856 0.50323 1.00000 Ba24 Ba 0.80533 0.30856 0.91057 1.00000 Ba25 Ba 0.39799 0.39476 0.58943 1.00000 Ba26 Ba 0.10201 0.19144 0.49677 1.00000 Ba27 Ba 0.19467 0.69144 0.08943 1.00000 Ba28 Ba 0.19144 0.08943 0.69467 1.00000 Ba29 Ba 0.60524 0.00323 0.19467 1.00000 Ba30 Ba 0.89476 0.58943 0.89799 1.00000 Ba31 Ba 0.50323 0.30856 0.89799 1.00000 Ba32 Ba 0.58943 0.89476 0.39799 1.00000 Ba33 Ba 0.91057 0.80856 0.80533 1.00000 Ba34 Ba 0.91057 0.10201 0.60524 1.00000 Ba35 Ba 0.89476 0.30533 0.49677 1.00000 Ba36 Ba 0.19144 0.10201 0.99677 1.00000 Ba37 Ba 0.60524 0.60201 0.91057 1.00000 Ba38 Ba 0.39799 0.00323 0.30856 1.00000 Ba39 Ba 0.30533 0.41057 0.80856 1.00000 Ba40 Ba 0.19467 0.50323 0.60524 1.00000 Ba41 Ba 0.89799 0.08943 0.89476 1.00000 Ba42 Ba 0.69144 0.19467 0.58943 1.00000 Ba43 Ba 0.49677 0.80533 0.89476 1.00000 Ba44 Ba 0.00323 0.39799 0.80856 1.00000 Ba45 Ba 0.41057 0.30533 0.30856 1.00000 Ba46 Ba 0.00323 0.60524 0.69467 1.00000 Ba47 Ba 0.69144 0.49677 0.60201 1.00000 Ba48 Ba 0.30533 0.89476 0.99677 1.00000