# CIF generated by HEAS from Alexandria entry agm006252425 data_agm006252425 _cell_length_a 12.46471 _cell_length_b 12.46471 _cell_length_c 7.37415 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 1145.71350 _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 0.25000 0.75000 0.00000 1.00000 Ba2 Ba 0.25000 0.25000 0.00000 1.00000 Ba3 Ba 0.75000 0.75000 0.00000 1.00000 Ba4 Ba 0.75000 0.25000 0.00000 1.00000 Na1 Na 0.50000 0.00000 0.96234 1.00000 Na2 Na 0.00000 0.50000 0.03766 1.00000 In1 In 0.65327 0.34673 0.50000 1.00000 In2 In 0.65327 0.65327 0.50000 1.00000 In3 In 0.34673 0.34673 0.50000 1.00000 In4 In 0.34673 0.65327 0.50000 1.00000 In5 In 0.84673 0.15327 0.50000 1.00000 In6 In 0.84673 0.84673 0.50000 1.00000 In7 In 0.15327 0.15327 0.50000 1.00000 In8 In 0.15327 0.84673 0.50000 1.00000 H1 H 0.50000 0.69169 0.74133 1.00000 H2 H 0.50000 0.30831 0.74133 1.00000 H3 H 0.19169 0.00000 0.74133 1.00000 H4 H 0.80831 0.00000 0.74133 1.00000 H5 H 0.00000 0.80831 0.25867 1.00000 H6 H 0.00000 0.19169 0.25867 1.00000 H7 H 0.30831 0.50000 0.25867 1.00000 H8 H 0.69169 0.50000 0.25867 1.00000 H9 H 0.63648 0.13648 0.60833 1.00000 H10 H 0.63648 0.86352 0.60833 1.00000 H11 H 0.36352 0.13648 0.60833 1.00000 H12 H 0.36352 0.86352 0.60833 1.00000 H13 H 0.86352 0.36352 0.39167 1.00000 H14 H 0.86352 0.63648 0.39167 1.00000 H15 H 0.13648 0.36352 0.39167 1.00000 H16 H 0.13648 0.63648 0.39167 1.00000 C1 C 0.50000 0.25492 0.16892 1.00000 C2 C 0.50000 0.74508 0.16892 1.00000 C3 C 0.75492 0.00000 0.16892 1.00000 C4 C 0.24508 0.00000 0.16892 1.00000 C5 C 0.00000 0.24508 0.83108 1.00000 C6 C 0.00000 0.75492 0.83108 1.00000 C7 C 0.74508 0.50000 0.83108 1.00000 C8 C 0.25492 0.50000 0.83108 1.00000 Br1 Br 0.50000 0.00000 0.57583 1.00000 Br2 Br 0.00000 0.50000 0.42417 1.00000 O1 O 0.50000 0.64853 0.63039 1.00000 O2 O 0.50000 0.35147 0.63039 1.00000 O3 O 0.14853 0.00000 0.63039 1.00000 O4 O 0.85147 0.00000 0.63039 1.00000 O5 O 0.00000 0.85147 0.36961 1.00000 O6 O 0.00000 0.14853 0.36961 1.00000 O7 O 0.35147 0.50000 0.36961 1.00000 O8 O 0.64853 0.50000 0.36961 1.00000 O9 O 0.69187 0.19187 0.63054 1.00000 O10 O 0.69187 0.80813 0.63054 1.00000 O11 O 0.30813 0.19187 0.63054 1.00000 O12 O 0.30813 0.80813 0.63054 1.00000 O13 O 0.80813 0.30813 0.36946 1.00000 O14 O 0.80813 0.69187 0.36946 1.00000 O15 O 0.19187 0.30813 0.36946 1.00000 O16 O 0.19187 0.69187 0.36946 1.00000 O17 O 0.72362 0.40892 0.75265 1.00000 O18 O 0.72362 0.59108 0.75265 1.00000 O19 O 0.27638 0.40892 0.75265 1.00000 O20 O 0.27638 0.59108 0.75265 1.00000 O21 O 0.90892 0.22362 0.75265 1.00000 O22 O 0.90892 0.77638 0.75265 1.00000 O23 O 0.09108 0.22362 0.75265 1.00000 O24 O 0.09108 0.77638 0.75265 1.00000 O25 O 0.77638 0.09108 0.24735 1.00000 O26 O 0.77638 0.90892 0.24735 1.00000 O27 O 0.22362 0.09108 0.24735 1.00000 O28 O 0.22362 0.90892 0.24735 1.00000 O29 O 0.59108 0.27638 0.24735 1.00000 O30 O 0.59108 0.72362 0.24735 1.00000 O31 O 0.40892 0.27638 0.24735 1.00000 O32 O 0.40892 0.72362 0.24735 1.00000 O33 O 0.50000 0.21249 0.00959 1.00000 O34 O 0.50000 0.78751 0.00959 1.00000 O35 O 0.71249 0.00000 0.00959 1.00000 O36 O 0.28751 0.00000 0.00959 1.00000 O37 O 0.00000 0.28751 0.99041 1.00000 O38 O 0.00000 0.71249 0.99041 1.00000 O39 O 0.78751 0.50000 0.99041 1.00000 O40 O 0.21249 0.50000 0.99041 1.00000