# CIF generated by HEAS from Alexandria entry agm005124229 data_agm005124229 _cell_length_a 4.26899 _cell_length_b 4.26899 _cell_length_c 8.09933 _cell_angle_alpha 74.71982 _cell_angle_beta 74.71982 _cell_angle_gamma 60.00000 _cell_volume 121.76651 _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 Ca1 Ca 0.06322 0.06322 0.81034 1.00000 Ca2 Ca 0.27222 0.27222 0.18333 1.00000 P1 P 0.66778 0.66778 0.99666 1.00000 I1 I 0.49678 0.49678 0.50967 1.00000