# CIF generated by HEAS from Alexandria entry agm097722652 data_agm097722652 _cell_length_a 5.39529 _cell_length_b 5.39529 _cell_length_c 10.55012 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 307.10501 _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 0.74468 1.00000 Ca2 Ca 0.00000 0.00000 0.25532 1.00000 Ca3 Ca 0.50000 0.00000 0.00000 1.00000 Ca4 Ca 0.50000 0.00000 0.50000 1.00000 Ca5 Ca 0.00000 0.50000 0.00000 1.00000 Ca6 Ca 0.00000 0.50000 0.50000 1.00000 Tl1 Tl 0.50000 0.50000 0.72513 1.00000 Tl2 Tl 0.50000 0.50000 0.27487 1.00000 Ir1 Ir 0.00000 0.00000 0.00000 1.00000