# CIF generated by HEAS from Alexandria entry agm006777570 data_agm006777570 _cell_length_a 8.05274 _cell_length_b 8.05274 _cell_length_c 8.05274 _cell_angle_alpha 153.20383 _cell_angle_beta 153.20383 _cell_angle_gamma 38.25787 _cell_volume 105.95770 _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 Mn1 Mn 0.75000 0.25000 0.50000 1.00000 Tl1 Tl 0.00000 0.00000 0.00000 1.00000 H1 H 0.62489 0.12489 0.50000 1.00000 H2 H 0.50000 0.50000 0.00000 1.00000 H3 H 0.87511 0.37511 0.50000 1.00000 H4 H 0.26957 0.26957 1.00000 1.00000 H5 H 0.13362 0.63362 0.50000 1.00000 H6 H 0.73043 0.73043 0.00000 1.00000 H7 H 0.36638 0.86638 0.50000 1.00000 Ir1 Ir 0.37916 0.37916 1.00000 1.00000 Ir2 Ir 0.62084 0.62084 0.00000 1.00000