# CIF generated by HEAS from Alexandria entry agm001980098 data_agm001980098 _cell_length_a 3.93067 _cell_length_b 3.93067 _cell_length_c 11.00836 _cell_angle_alpha 79.71578 _cell_angle_beta 79.71578 _cell_angle_gamma 60.00000 _cell_volume 144.13066 _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 0.00000 0.00000 0.00000 1.00000 Y1 Y 0.50000 0.50000 0.50000 1.00000 Ca1 Ca 0.74314 0.74314 0.77058 1.00000 Ca2 Ca 0.25686 0.25686 0.22942 1.00000