# CIF generated by HEAS from Alexandria entry agm003573449 data_agm003573449 _cell_length_a 5.79112 _cell_length_b 8.06265 _cell_length_c 8.06265 _cell_angle_alpha 107.30791 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 359.41297 _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 0.51657 0.87371 0.74987 1.00000 Ti2 Ti 0.01657 0.74987 0.87371 1.00000 Ti3 Ti 0.34896 0.43106 0.56894 1.00000 Ti4 Ti 0.84896 0.56894 0.43106 1.00000 Ti5 Ti 0.01657 0.12629 0.25013 1.00000 Ti6 Ti 0.51657 0.25013 0.12629 1.00000 Si1 Si 0.02177 0.21670 0.78330 1.00000 Si2 Si 0.52177 0.78330 0.21670 1.00000 S1 S 0.18086 0.72574 0.59595 1.00000 S2 S 0.68086 0.59595 0.72574 1.00000 S3 S 0.18658 0.46595 0.86495 1.00000 S4 S 0.68658 0.86495 0.46595 1.00000 S5 S 0.18405 0.06187 0.93813 1.00000 S6 S 0.66255 0.18327 0.81673 1.00000 S7 S 0.16255 0.81673 0.18327 1.00000 S8 S 0.68405 0.93813 0.06187 1.00000 S9 S 0.18658 0.13505 0.53405 1.00000 S10 S 0.68658 0.53405 0.13505 1.00000 S11 S 0.18086 0.40405 0.27426 1.00000 S12 S 0.68086 0.27426 0.40405 1.00000