# CIF generated by HEAS from Alexandria entry agm005962995 data_agm005962995 _cell_length_a 4.44931 _cell_length_b 9.67344 _cell_length_c 15.79131 _cell_angle_alpha 107.83580 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 646.99535 _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 0.00000 0.00000 0.00000 1.00000 Ca2 Ca 0.50000 0.50000 0.00000 1.00000 Ca3 Ca 0.00000 0.32435 0.64870 1.00000 Ca4 Ca 0.50000 0.16348 0.32695 1.00000 Ca5 Ca 0.50000 0.83652 0.67305 1.00000 Ca6 Ca 0.00000 0.67565 0.35130 1.00000 I1 I 0.50000 0.39653 0.79305 1.00000 I2 I 0.50000 0.60347 0.20695 1.00000 Br1 Br 0.00000 0.30294 1.00000 1.00000 Br2 Br 0.00000 0.69706 0.00000 1.00000 Br3 Br 0.00000 0.02734 0.66394 1.00000 Br4 Br 0.50000 0.26253 0.52506 1.00000 Br5 Br 0.50000 0.93540 0.87081 1.00000 Br6 Br 0.00000 0.63661 0.66394 1.00000 Br7 Br 0.00000 0.36339 0.33606 1.00000 Br8 Br 0.50000 0.06460 0.12919 1.00000 Br9 Br 0.50000 0.73747 0.47494 1.00000 Br10 Br 0.00000 0.97266 0.33606 1.00000