data_global
_amcsd_formula_title 'Ba Ca Fe4 O8'
loop_
_publ_author_name
'Herrmann D'
'Bacmann M'
_journal_name_full 'Materials Research Bulletin'
_journal_volume 6 
_journal_year 1971
_journal_page_first 725
_journal_page_last 736
_publ_section_title
;
 Structure nucleaire de Ba Ca Fe4 O8
 _cod_database_code 1008057
;
_database_code_amcsd 0015999
_chemical_formula_sum 'Ba Ca Fe4 O8'
_cell_length_a 5.407
_cell_length_b 5.407
_cell_length_c 7.703
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 195.031
_exptl_crystal_density_diffrn      4.502
_symmetry_space_group_name_H-M 'P -3 1 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x-y,-y,z'
  'y,-x+y,-z'
  '-y,-x,-z'
  '-x+y,-x,z'
  '-x,-x+y,z'
  '-x,-y,-z'
  '-x+y,y,-z'
  '-y,x-y,z'
  'y,x,z'
  'x-y,x,-z'
  'x,x-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba1   0.00000   0.00000   0.00000
Ca1   0.00000   0.00000   0.50000
Fe1   0.33333   0.66667   0.23640
O1   0.33333   0.66667   0.00000
O2   0.32970   0.00000   0.30920