# CIF generated by HEAS from Alexandria entry agm008317691 data_agm008317691 _cell_length_a 12.38458 _cell_length_b 12.38458 _cell_length_c 12.38458 _cell_angle_alpha 120.81026 _cell_angle_beta 117.51952 _cell_angle_gamma 91.47568 _cell_volume 1358.26995 _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 Ca1 Ca 0.67212 0.67212 0.00000 1.00000 Ca2 Ca 0.82673 0.16227 0.98901 1.00000 Ca3 Ca 0.11115 0.92266 0.34758 1.00000 Ca4 Ca 0.17212 0.17212 0.00000 1.00000 Ca5 Ca 0.43161 0.05814 0.73890 1.00000 Ca6 Ca 0.68444 0.30997 0.73443 1.00000 Ca7 Ca 0.32673 0.33773 0.66447 1.00000 Ca8 Ca 0.07554 0.80997 0.62553 1.00000 Ca9 Ca 0.93923 0.58811 0.20792 1.00000 Ca10 Ca 0.57508 0.76357 0.65242 1.00000 Ca11 Ca 0.43923 0.23131 0.35112 1.00000 Ca12 Ca 0.93161 0.19270 0.37346 1.00000 Ca13 Ca 0.18444 0.45001 0.37447 1.00000 Ca14 Ca 0.07508 0.42266 0.81150 1.00000 Ca15 Ca 0.38019 0.73131 0.79208 1.00000 Ca16 Ca 0.88019 0.08811 0.64888 1.00000 Ca17 Ca 0.61115 0.26357 0.18850 1.00000 Ca18 Ca 0.67326 0.66227 0.33553 1.00000 Ca19 Ca 0.31924 0.69270 0.26110 1.00000 Ca20 Ca 0.17326 0.83773 0.01099 1.00000 Ca21 Ca 0.81924 0.55814 0.62654 1.00000 Ca22 Ca 0.57554 0.95001 0.26557 1.00000 Tl1 Tl 0.38223 0.38223 0.00000 1.00000 Tl2 Tl 0.88223 0.88223 0.00000 1.00000 Bi1 Bi 0.00886 0.36174 0.99986 1.00000 Bi2 Bi 0.38491 0.03681 0.42420 1.00000 Bi3 Bi 0.36189 0.00901 0.00014 1.00000 Bi4 Bi 0.62753 0.37421 0.98315 1.00000 Bi5 Bi 0.65300 0.97056 0.01083 1.00000 Bi6 Bi 0.75408 0.25408 0.50000 1.00000 Bi7 Bi 0.15300 0.14217 0.68243 1.00000 Bi8 Bi 0.25408 0.75408 0.50000 1.00000 Bi9 Bi 0.89106 0.87421 0.74667 1.00000 Bi10 Bi 0.86189 0.86174 0.35288 1.00000 Bi11 Bi 0.50886 0.50901 0.64712 1.00000 Bi12 Bi 0.39106 0.64439 0.01685 1.00000 Bi13 Bi 0.95973 0.64217 0.98917 1.00000 Bi14 Bi 0.88491 0.46070 0.34810 1.00000 Bi15 Bi 0.11261 0.53681 0.65190 1.00000 Bi16 Bi 0.45973 0.47056 0.31757 1.00000 Bi17 Bi 0.61261 0.96070 0.57580 1.00000 Bi18 Bi 0.12753 0.14439 0.25333 1.00000