# CIF generated by HEAS from Alexandria entry agm002045877 data_agm002045877 _cell_length_a 5.11731 _cell_length_b 3.68384 _cell_length_c 6.47105 _cell_angle_alpha 90.00000 _cell_angle_beta 114.60038 _cell_angle_gamma 90.00000 _cell_volume 110.91554 _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 C1 C 0.98829 0.00000 0.86471 1.00000 C2 C 0.98829 0.50000 0.36471 1.00000 Ni1 Ni 0.39343 0.00000 0.99716 1.00000 Ni2 Ni 0.39343 0.50000 0.49716 1.00000 S1 S 0.61790 0.00000 0.74215 1.00000 S2 S 0.61790 0.50000 0.24215 1.00000 Mg1 Mg 0.04053 0.00000 0.55101 1.00000 Mg2 Mg 0.04053 0.50000 0.05101 1.00000