data_global
_amcsd_formula_title 'Ba6 Co25 S27'
loop_
_publ_author_name
'Snyder G'
'Badding M'
'DiSalvo F'
_journal_name_full 'Inorganic Chemistry'
_journal_volume 31 
_journal_year 1992
_journal_page_first 2107
_journal_page_last 2110
_publ_section_title
;
 Synthesis, structure and properties of Ba6Co25S27: a perovskite-
 like superstructure of Co8S6 and Ba6S clusters
 _cod_database_code 1005012
;
_database_code_amcsd 0012703
_chemical_formula_sum 'Ba6 Co25 S27'
_cell_length_a 10.033
_cell_length_b 10.033
_cell_length_c 10.033
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1009.933
_exptl_crystal_density_diffrn      5.201
_symmetry_space_group_name_H-M 'P m 3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'z,-x,y'
  '-y,z,-x'
  'x,-y,z'
  '-z,x,-y'
  'y,-z,x'
  '-x,y,-z'
  'x,-z,-y'
  '-z,y,x'
  'y,-x,-z'
  '-x,z,y'
  'z,-y,-x'
  '-y,x,z'
  'x,z,y'
  '-z,-y,-x'
  'y,x,z'
  '-x,-z,-y'
  'z,y,x'
  '-y,-x,-z'
  'z,x,-y'
  '-y,-z,x'
  'x,y,-z'
  '-z,-x,y'
  'y,z,-x'
  '-x,-y,z'
  '-z,x,y'
  'y,-z,-x'
  '-x,y,z'
  'z,-x,-y'
  '-y,z,x'
  'x,-y,-z'
  '-x,z,-y'
  'z,-y,x'
  '-y,x,-z'
  'x,-z,y'
  '-z,y,-x'
  'y,-x,z'
  '-x,-z,y'
  'z,y,-x'
  '-y,-x,z'
  'x,z,-y'
  '-z,-y,x'
  'y,x,-z'
  '-z,-x,-y'
  'y,z,x'
  '-x,-y,-z'
  'z,x,y'
  '-y,-z,-x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba1   0.50000   0.50000   0.19603
Co1   0.13220   0.36218   0.13220
Co2   0.00000   0.00000   0.00000
S1   0.50000   0.50000   0.50000
S2   0.00000   0.23610   0.00000
S3   0.27670   0.27670   0.27670
S4   0.00000   0.50000   0.24620
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ba1 0.01700 0.01700 0.01200 0.00000 0.00000 0.00000
Co1 0.01400 0.01800 0.01400 -0.00100 0.00000 -0.00100
Co2 0.01200 0.01200 0.01200 0.00000 0.00000 0.00000
S1 0.01500 0.01500 0.01500 0.00000 0.00000 0.00000
S2 0.01400 0.01200 0.01400 0.00000 0.00000 0.16000
S3 0.01600 0.01600 0.01600 0.00300 0.00300 0.00300
S4 0.01500 0.01500 0.01200 0.00000 0.00000 0.00000