# CIF generated by HEAS from Alexandria entry agm001820002 data_agm001820002 _cell_length_a 12.79712 _cell_length_b 12.79712 _cell_length_c 12.79712 _cell_angle_alpha 109.47122 _cell_angle_beta 109.47122 _cell_angle_gamma 109.47122 _cell_volume 1613.29997 _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 Ba1 Ba 0.12500 0.37500 0.25000 1.00000 Ba2 Ba 0.00000 0.50000 0.00000 1.00000 Ba3 Ba 0.00000 0.00000 0.00000 1.00000 Ba4 Ba 0.37500 0.25000 0.12500 1.00000 Ba5 Ba 0.50000 0.00000 0.50000 1.00000 Ba6 Ba 0.50000 0.50000 0.00000 1.00000 Ba7 Ba 0.12500 0.75000 0.37500 1.00000 Ba8 Ba 0.75000 0.12500 0.87500 1.00000 Ba9 Ba 0.75000 0.62500 0.37500 1.00000 Ba10 Ba 0.37500 0.12500 0.75000 1.00000 Ba11 Ba 0.62500 0.87500 0.25000 1.00000 Ba12 Ba 0.50000 0.50000 0.50000 1.00000 Ba13 Ba 0.50000 0.00000 0.00000 1.00000 Ba14 Ba 0.00000 0.00000 0.50000 1.00000 Ba15 Ba 0.25000 0.37500 0.62500 1.00000 Ba16 Ba 0.25000 0.87500 0.12500 1.00000 Ba17 Ba 0.00000 0.50000 0.50000 1.00000 Ba18 Ba 0.87500 0.25000 0.62500 1.00000 Ba19 Ba 0.62500 0.75000 0.87500 1.00000 Ba20 Ba 0.87500 0.62500 0.75000 1.00000 H1 H 0.73849 0.16258 0.07986 1.00000 H2 H 0.34137 0.57986 0.41729 1.00000 H3 H 0.92014 0.33742 0.26151 1.00000 H4 H 0.57986 0.23849 0.16258 1.00000 H5 H 0.57591 0.73849 0.65863 1.00000 H6 H 0.92014 0.58271 0.15863 1.00000 H7 H 0.34137 0.76151 0.42409 1.00000 H8 H 0.08271 0.92409 0.16258 1.00000 H9 H 0.58271 0.92014 0.65863 1.00000 H10 H 0.73849 0.57591 0.15863 1.00000 H11 H 0.76151 0.42014 0.33742 1.00000 H12 H 0.84137 0.91729 0.07986 1.00000 H13 H 0.16258 0.73849 0.57986 1.00000 H14 H 0.33742 0.41729 0.07591 1.00000 H15 H 0.07591 0.91729 0.33742 1.00000 H16 H 0.42409 0.16258 0.58271 1.00000 H17 H 0.07591 0.15863 0.23849 1.00000 H18 H 0.42014 0.65863 0.08271 1.00000 H19 H 0.84137 0.92409 0.26151 1.00000 H20 H 0.16258 0.42409 0.08271 1.00000 H21 H 0.33742 0.92014 0.76151 1.00000 H22 H 0.58271 0.66258 0.42409 1.00000 H23 H 0.91729 0.84137 0.57986 1.00000 H24 H 0.76151 0.34137 0.92409 1.00000 H25 H 0.41729 0.33742 0.57591 1.00000 H26 H 0.08271 0.15863 0.42014 1.00000 H27 H 0.23849 0.65863 0.07591 1.00000 H28 H 0.15863 0.07591 0.73849 1.00000 H29 H 0.66258 0.07986 0.23849 1.00000 H30 H 0.83742 0.57591 0.91729 1.00000 H31 H 0.57986 0.34137 0.91729 1.00000 H32 H 0.57591 0.83742 0.41729 1.00000 H33 H 0.92409 0.84137 0.76151 1.00000 H34 H 0.92409 0.08271 0.66258 1.00000 H35 H 0.83742 0.26151 0.42014 1.00000 H36 H 0.15863 0.08271 0.92014 1.00000 H37 H 0.66258 0.58271 0.92409 1.00000 H38 H 0.41729 0.07986 0.34137 1.00000 H39 H 0.26151 0.42409 0.84137 1.00000 H40 H 0.23849 0.57986 0.66258 1.00000 H41 H 0.91729 0.07591 0.83742 1.00000 H42 H 0.65863 0.23849 0.57591 1.00000 H43 H 0.42014 0.76151 0.83742 1.00000 H44 H 0.07986 0.41729 0.84137 1.00000 H45 H 0.42409 0.26151 0.34137 1.00000 H46 H 0.07986 0.66258 0.73849 1.00000 H47 H 0.65863 0.42014 0.58271 1.00000 H48 H 0.26151 0.83742 0.92014 1.00000