# CIF generated by HEAS from Alexandria entry agm005286201 data_agm005286201 _cell_length_a 25.80624 _cell_length_b 25.80624 _cell_length_c 4.16286 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 120.00000 _cell_volume 2400.88722 _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 0.77168 0.65029 0.75000 1.00000 Ba2 Ba 0.12138 0.77168 0.25000 1.00000 Ba3 Ba 0.65029 0.87862 0.25000 1.00000 Ba4 Ba 0.34971 0.12138 0.75000 1.00000 Ba5 Ba 0.87862 0.22832 0.75000 1.00000 Ba6 Ba 0.22832 0.34971 0.25000 1.00000 Ba7 Ba 0.67980 0.44587 0.75000 1.00000 Ba8 Ba 0.23393 0.67980 0.25000 1.00000 Ba9 Ba 0.44587 0.76607 0.25000 1.00000 Ba10 Ba 0.55413 0.23393 0.75000 1.00000 Ba11 Ba 0.76607 0.32020 0.75000 1.00000 Ba12 Ba 0.32020 0.55413 0.25000 1.00000 Bi1 Bi 0.15466 0.97801 0.75000 1.00000 Bi2 Bi 0.17664 0.15466 0.25000 1.00000 Bi3 Bi 0.97801 0.82336 0.25000 1.00000 Bi4 Bi 0.02199 0.17664 0.75000 1.00000 Bi5 Bi 0.82336 0.84534 0.75000 1.00000 Bi6 Bi 0.84534 0.02199 0.25000 1.00000 Bi7 Bi 0.54145 0.95133 0.75000 1.00000 Bi8 Bi 0.59011 0.54145 0.25000 1.00000 Bi9 Bi 0.95133 0.40989 0.25000 1.00000 Bi10 Bi 0.04867 0.59011 0.75000 1.00000 Bi11 Bi 0.40989 0.45855 0.75000 1.00000 Bi12 Bi 0.45855 0.04867 0.25000 1.00000 Bi13 Bi 0.35380 0.85687 0.75000 1.00000 Bi14 Bi 0.49693 0.35380 0.25000 1.00000 Bi15 Bi 0.85687 0.50307 0.25000 1.00000 Bi16 Bi 0.14313 0.49693 0.75000 1.00000 Bi17 Bi 0.50307 0.64620 0.75000 1.00000 Bi18 Bi 0.64620 0.14313 0.25000 1.00000 Bi19 Bi 0.72631 0.05802 0.75000 1.00000 Bi20 Bi 0.66828 0.72631 0.25000 1.00000 Bi21 Bi 0.05802 0.33172 0.25000 1.00000 Bi22 Bi 0.94198 0.66828 0.75000 1.00000 Bi23 Bi 0.33172 0.27369 0.75000 1.00000 Bi24 Bi 0.27369 0.94198 0.25000 1.00000 S1 S 0.93529 0.85828 0.75000 1.00000 S2 S 0.07701 0.93529 0.25000 1.00000 S3 S 0.85828 0.92299 0.25000 1.00000 S4 S 0.14172 0.07701 0.75000 1.00000 S5 S 0.92299 0.06471 0.75000 1.00000 S6 S 0.06471 0.14172 0.25000 1.00000 S7 S 0.69390 0.80752 0.75000 1.00000 S8 S 0.88638 0.69390 0.25000 1.00000 S9 S 0.80752 0.11362 0.25000 1.00000 S10 S 0.19248 0.88638 0.75000 1.00000 S11 S 0.11362 0.30610 0.75000 1.00000 S12 S 0.30610 0.19248 0.25000 1.00000 S13 S 0.34509 0.75307 0.75000 1.00000 S14 S 0.59203 0.34509 0.25000 1.00000 S15 S 0.75307 0.40797 0.25000 1.00000 S16 S 0.24693 0.59203 0.75000 1.00000 S17 S 0.40797 0.65491 0.75000 1.00000 S18 S 0.65491 0.24693 0.25000 1.00000 S19 S 0.36746 0.99712 0.75000 1.00000 S20 S 0.37033 0.36746 0.25000 1.00000 S21 S 0.54646 0.85331 0.75000 1.00000 S22 S 0.99712 0.62967 0.25000 1.00000 S23 S 0.62967 0.63254 0.75000 1.00000 S24 S 0.63254 0.00288 0.25000 1.00000 S25 S 0.74821 0.96796 0.75000 1.00000 S26 S 0.78024 0.74821 0.25000 1.00000 S27 S 0.96796 0.21976 0.25000 1.00000 S28 S 0.03204 0.78024 0.75000 1.00000 S29 S 0.21976 0.25179 0.75000 1.00000 S30 S 0.25179 0.03204 0.25000 1.00000 S31 S 0.91269 0.45741 0.75000 1.00000 S32 S 0.45528 0.91269 0.25000 1.00000 S33 S 0.45741 0.54472 0.25000 1.00000 S34 S 0.54259 0.45528 0.75000 1.00000 S35 S 0.54472 0.08731 0.75000 1.00000 S36 S 0.08731 0.54259 0.25000 1.00000 S37 S 0.17432 0.44922 0.25000 1.00000 S38 S 0.72510 0.17432 0.75000 1.00000 S39 S 0.44922 0.27490 0.75000 1.00000 S40 S 0.55078 0.72510 0.25000 1.00000 S41 S 0.27490 0.82568 0.25000 1.00000 S42 S 0.82568 0.55078 0.75000 1.00000 S43 S 0.45354 0.14669 0.25000 1.00000 S44 S 0.30685 0.45354 0.75000 1.00000 S45 S 0.14669 0.69315 0.75000 1.00000 S46 S 0.85331 0.30685 0.25000 1.00000 S47 S 0.69315 0.54646 0.25000 1.00000 S48 S 0.00288 0.37033 0.75000 1.00000