# CIF generated by HEAS from Alexandria entry agm005653003 data_agm005653003 _cell_length_a 3.52054 _cell_length_b 3.52054 _cell_length_c 16.59302 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 120.00001 _cell_volume 178.10442 _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 Ni1 Ni 0.00000 0.00000 0.33318 1.00000 Ni2 Ni 1.00000 0.00000 0.66682 1.00000 Ni3 Ni 0.66667 0.33333 0.00000 1.00000 Se1 Se 0.66667 0.33333 0.41243 1.00000 Se2 Se 0.66667 0.33333 0.74673 1.00000 Se3 Se 0.66667 0.33333 0.25327 1.00000 Se4 Se 0.66667 0.33333 0.58757 1.00000 S1 S 0.00000 0.00000 0.93510 1.00000 S2 S 1.00000 0.00000 0.06490 1.00000