data_global
_amcsd_formula_title 'KFeBr3'
loop_
_publ_author_name
'Amit A'
'Horowitz A'
'Makovsky J'
_journal_name_full 'Israel Journal of Chemistry'
_journal_volume 12 
_journal_year 1974
_journal_page_first 827
_journal_page_last 830
_publ_section_title
;
 Preparation and crystal structure of KFeCl3 and KFeBr3
;
_database_code_amcsd 0020631
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'K Fe Br3'
_cell_length_a 8.712
_cell_length_b 3.845
_cell_length_c 14.15
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 473.992
_exptl_crystal_density_diffrn      4.690
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
K   0.48500   0.25000   0.86700
Fe   0.14700   0.25000   0.06100
Br1   0.27700   0.25000   0.19500
Br2   0.18600   0.25000   0.50800
Br3   0.04100   0.25000   0.88000