# CIF generated by HEAS from Alexandria entry agm007478513 data_agm007478513 _cell_length_a 4.49315 _cell_length_b 4.49315 _cell_length_c 6.21795 _cell_angle_alpha 71.40389 _cell_angle_beta 71.40389 _cell_angle_gamma 58.01920 _cell_volume 99.14685 _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 Pa1 Pa 0.50000 0.50000 0.50000 1.00000 Tl1 Tl 0.00000 0.00000 0.00000 1.00000 Ni1 Ni 0.26286 0.26286 0.15861 1.00000 Ni2 Ni 0.73714 0.73714 0.84139 1.00000 H1 H 0.94415 0.94415 0.64360 1.00000 H2 H 0.63420 0.63420 0.11730 1.00000 H3 H 0.05585 0.05585 0.35640 1.00000 H4 H 0.36580 0.36580 0.88270 1.00000 H5 H 0.05351 0.53316 0.34738 1.00000 H6 H 0.94649 0.46684 0.65262 1.00000 H7 H 0.53316 0.05351 0.34738 1.00000 H8 H 0.46684 0.94649 0.65262 1.00000