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 44
_chemical_formula_sum 'C4 N2 Br O4'
_cell_length_a 8.21
_cell_length_b 18.42
_cell_length_c 5.4
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_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   0.089  0.38  0.833
C   0.106  0.43  0.12
C   0.423  0.283  0.517
C   0.065  0.172  0.373
N   0.268  0.43  0.158
N   0.145  0.193  0.158
Br   0.178  0.035  0.833
O   0.47  0.112  0.317
O   0.196  0.333  0.842
O   0.475  0.213  0.65
O   0.423  0.283  0.35