# CIF generated by HEAS from Alexandria entry agm040700856 data_agm040700856 _cell_length_a 6.91222 _cell_length_b 6.91222 _cell_length_c 6.91222 _cell_angle_alpha 61.61474 _cell_angle_beta 61.61474 _cell_angle_gamma 61.61474 _cell_volume 241.98466 _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 Ti1 Ti 0.00000 0.00000 0.00000 1.00000 Cr1 Cr 0.50000 0.00000 0.00000 1.00000 Cr2 Cr 0.00000 0.00000 0.50000 1.00000 Cr3 Cr 0.00000 0.50000 0.00000 1.00000 Cu1 Cu 0.37640 0.37640 0.37640 1.00000 Cu2 Cu 0.62360 0.62360 0.62360 1.00000 S1 S 0.75871 0.75871 0.75871 1.00000 S2 S 0.75390 0.23064 0.75390 1.00000 S3 S 0.23064 0.75390 0.75390 1.00000 S4 S 0.75390 0.75390 0.23064 1.00000 S5 S 0.24129 0.24129 0.24129 1.00000 S6 S 0.24610 0.24610 0.76936 1.00000 S7 S 0.76936 0.24610 0.24610 1.00000 S8 S 0.24610 0.76936 0.24610 1.00000