data_global _amcsd_formula_title 'Ba0.85Ca2.15In6O12' loop_ _publ_author_name 'Baldinozzi G' 'Goutenoire F' 'Hervieu M' 'Suard E' 'Grebille D' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 52 _journal_year 1996 _journal_page_first 780 _journal_page_last 789 _publ_section_title ; Incommensurate modulated disorder in Ba0.85Ca2.15In6O12 _cod_database_code 1000428 ; _database_code_amcsd 0009895 _chemical_formula_sum 'Ba.43 Ca In3 O6' _cell_length_a 9.8880 _cell_length_b 9.8880 _cell_length_c 3.2170 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 272.395 _exptl_crystal_density_diffrn 6.579 _symmetry_space_group_name_H-M 'P 63/m' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x+y,-x,1/2-z' 'x-y,x,1/2+z' 'y,-x+y,-z' '-y,x-y,z' 'x,y,1/2-z' '-x,-y,1/2+z' 'x-y,x,-z' '-x+y,-x,z' '-y,x-y,1/2-z' 'y,-x+y,1/2+z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba1 0.00000 0.00000 0.16000 0.21500 Ca1 0.33333 0.66667 0.25000 1.00000 In1 0.34720 -0.00440 0.25000 1.00000 O1 0.19350 0.30480 0.25000 1.00000 O2 0.53160 0.39850 0.25000 1.00000