# CIF generated by HEAS from Alexandria entry agm002942016 data_agm002942016 _cell_length_a 6.32446 _cell_length_b 6.32446 _cell_length_c 5.92800 _cell_angle_alpha 57.76188 _cell_angle_beta 57.76188 _cell_angle_gamma 90.00000 _cell_volume 155.64506 _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 I1 I 0.75000 0.25000 0.50000 1.00000 I2 I 0.25000 0.75000 0.50000 1.00000 Ca1 Ca 0.00000 0.00000 0.00000 1.00000 S1 S 0.37689 0.37689 0.24621 1.00000 S2 S 0.62311 0.62311 0.75379 1.00000