# CIF generated by HEAS from Alexandria entry agm005686169 data_agm005686169 _cell_length_a 4.06680 _cell_length_b 8.30284 _cell_length_c 8.74412 _cell_angle_alpha 61.10019 _cell_angle_beta 76.55306 _cell_angle_gamma 75.82385 _cell_volume 248.33484 _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 0.28631 0.75256 0.67483 1.00000 Ca2 Ca 0.71369 0.24744 0.32517 1.00000 Ca3 Ca 0.00000 0.00000 0.00000 1.00000 Si1 Si 0.11400 0.16889 0.60312 1.00000 Si2 Si 0.88600 0.83111 0.39688 1.00000 Si3 Si 0.82060 0.45247 0.90634 1.00000 Si4 Si 0.17940 0.54753 0.09366 1.00000 Si5 Si 0.52405 0.65301 0.29889 1.00000 Si6 Si 0.47595 0.34699 0.70111 1.00000 Si7 Si 0.37210 0.99480 0.26101 1.00000 Si8 Si 0.62790 0.00520 0.73899 1.00000 Ir1 Ir 0.00000 0.50000 0.50000 1.00000 Ir2 Ir 0.65201 0.70601 0.98997 1.00000 Ir3 Ir 0.34799 0.29399 0.01003 1.00000