# CIF generated by HEAS from Alexandria entry agm004635995 data_agm004635995 _cell_length_a 6.39360 _cell_length_b 6.39360 _cell_length_c 8.57197 _cell_angle_alpha 97.22014 _cell_angle_beta 97.22014 _cell_angle_gamma 119.89264 _cell_volume 294.06631 _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 0.00000 0.00000 0.00000 1.00000 Tl1 Tl 0.16197 0.83803 0.50000 1.00000 Tl2 Tl 0.83803 0.16197 0.50000 1.00000 Tl3 Tl 0.50000 0.50000 0.50000 1.00000 Ni1 Ni 0.33292 0.66708 0.00000 1.00000 Ni2 Ni 0.66708 0.33292 0.00000 1.00000 Se1 Se 0.94037 0.56761 0.82129 1.00000 Se2 Se 0.68691 0.68691 0.17686 1.00000 Se3 Se 0.05963 0.43239 0.17871 1.00000 Se4 Se 0.56761 0.94037 0.82129 1.00000 Se5 Se 0.31309 0.31309 0.82314 1.00000 Se6 Se 0.43239 0.05963 0.17871 1.00000