# CIF generated by HEAS from Alexandria entry agm004487751 data_agm004487751 _cell_length_a 5.12955 _cell_length_b 5.12955 _cell_length_c 13.72719 _cell_angle_alpha 100.76836 _cell_angle_beta 100.76836 _cell_angle_gamma 90.00000 _cell_volume 348.35645 _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 Na1 Na 0.88577 0.88577 0.77154 1.00000 Na2 Na 0.50000 0.50000 0.00000 1.00000 Na3 Na 0.11423 0.11423 0.22846 1.00000 Ca1 Ca 0.75000 0.25000 0.50000 1.00000 Ca2 Ca 0.25000 0.75000 0.50000 1.00000 S1 S 0.78372 0.78372 0.56744 1.00000 S2 S 0.21628 0.21628 0.43256 1.00000 I1 I 0.62125 0.62125 0.24250 1.00000 I2 I 0.37875 0.37875 0.75750 1.00000 I3 I 0.00000 0.00000 0.00000 1.00000