# CIF generated by HEAS from Alexandria entry agm001982957 data_agm001982957 _cell_length_a 3.95108 _cell_length_b 3.95108 _cell_length_c 11.29748 _cell_angle_alpha 79.92917 _cell_angle_beta 79.92917 _cell_angle_gamma 60.00000 _cell_volume 149.59071 _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 Ca1 Ca 0.74089 0.74089 0.77732 1.00000 Ca2 Ca 0.25911 0.25911 0.22268 1.00000 La1 La 0.50000 0.50000 0.50000 1.00000