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 1000429
;
_database_code_amcsd 0009896
_chemical_formula_sum 'Ba.277 Ca.7 In2 O4'
_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      6.578
_symmetry_space_group_name_H-M 'P 3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,x-y,z'
  '-x+y,-x,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   0.70500   0.35000
Ba2   0.00000   0.00000   0.22200   0.17000
Ba3   0.00000   0.00000  -0.06400   0.31000
Ca1   0.00000   0.00000  -0.06400   0.10000
Ca2   0.33333   0.66667   0.26700   1.00000
Ca3   0.66667   0.33333   0.74500   1.00000
In1   0.34920  -0.00050   0.25000   1.00000
In2   0.65450   0.00680   0.74700   1.00000
O1   0.19100   0.30400   0.25000   1.00000
O2   0.80520   0.69760   0.75900   1.00000
O3   0.52930   0.39700   0.24800   1.00000
O4   0.46690   0.60030   0.75400   1.00000