# CIF generated by HEAS from Alexandria entry agm005201372 data_agm005201372 _cell_length_a 4.49423 _cell_length_b 4.49364 _cell_length_c 8.66816 _cell_angle_alpha 90.05296 _cell_angle_beta 105.00625 _cell_angle_gamma 120.00415 _cell_volume 144.63752 _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 Ba1 Ba 0.09892 0.94749 0.06158 1.00000 Ca1 Ca 0.51298 0.15398 0.68282 1.00000 P1 P 0.28861 0.54199 0.84621 1.00000 I1 I 0.97739 0.38734 0.37905 1.00000