# CIF generated by HEAS from Alexandria entry agm005244136 data_agm005244136 _cell_length_a 8.74352 _cell_length_b 8.74352 _cell_length_c 8.74352 _cell_angle_alpha 107.43767 _cell_angle_beta 107.43767 _cell_angle_gamma 107.43767 _cell_volume 549.89787 _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 Sc1 Sc 0.50000 0.50000 0.50000 1.00000 Sc2 Sc 0.03026 0.10159 0.30616 1.00000 Sc3 Sc 0.30616 0.03026 0.10159 1.00000 Sc4 Sc 0.10159 0.30616 0.03026 1.00000 Sc5 Sc 0.96974 0.89841 0.69384 1.00000 Sc6 Sc 0.69384 0.96974 0.89841 1.00000 Sc7 Sc 0.89841 0.69384 0.96974 1.00000 Ni1 Ni 0.00000 0.00000 0.00000 1.00000 Br1 Br 0.68368 0.07382 0.21990 1.00000 Br2 Br 0.21990 0.68368 0.07382 1.00000 Br3 Br 0.07382 0.21990 0.68368 1.00000 Br4 Br 0.31632 0.92618 0.78010 1.00000 Br5 Br 0.78010 0.31632 0.92618 1.00000 Br6 Br 0.92618 0.78010 0.31632 1.00000 Br7 Br 0.15830 0.46115 0.38574 1.00000 Br8 Br 0.38574 0.15830 0.46115 1.00000 Br9 Br 0.46115 0.38574 0.15830 1.00000 Br10 Br 0.84170 0.53885 0.61426 1.00000 Br11 Br 0.61426 0.84170 0.53885 1.00000 Br12 Br 0.53885 0.61426 0.84170 1.00000