data_global
_amcsd_formula_title 'BrN2C4O4'
loop_
_publ_author_name
'Barney E'
_journal_name_full 'American Mineralogist'
_journal_volume 32 
_journal_year 1947
_journal_page_first 685
_journal_page_last 685
_publ_section_title
;
 The structure of diglycine hydrobromide
;
_database_code_amcsd 0000044
_chemical_formula_sum 'C4 N2 Br O4'
_cell_length_a 8.21
_cell_length_b 18.42
_cell_length_c 5.40
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 816.632
_exptl_crystal_density_diffrn      1.789
_symmetry_space_group_name_H-M 'P 21 21 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C   0.08900   0.38000   0.83300
C   0.10600   0.43000   0.12000
C   0.42300   0.28300   0.51700
C   0.06500   0.17200   0.37300
N   0.26800   0.43000   0.15800
N   0.14500   0.19300   0.15800
Br   0.17800   0.03500   0.83300
O   0.47000   0.11200   0.31700
O   0.19600   0.33300   0.84200
O   0.47500   0.21300   0.65000
O   0.42300   0.28300   0.35000