data_global
_chemical_name_mineral 'Nahcolite'
loop_
_publ_author_name
'Sass R L'
'Scheuerman R F'
_journal_name_full 'Acta Crystallographica'
_journal_volume 15 
_journal_year 1962
_journal_page_first 77
_journal_page_last 81
_publ_section_title
;
 The crystal structure of sodium bicarbonate
;
_database_code_amcsd 0009267
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Na C O3 H'
_cell_length_a 3.51
_cell_length_b 9.71
_cell_length_c 8.05
_cell_angle_alpha 90
_cell_angle_beta 111.85
_cell_angle_gamma 90
_cell_volume 254.651
_exptl_crystal_density_diffrn      2.191
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Na   0.42740   0.00470   0.71450   0.01393
C   0.20980   0.23700   0.92320   0.01140
O1   0.18960   0.36680   0.92910   0.01165
O2   0.98830   0.16290   0.79460   0.01127
O-H3   0.49580   0.17070   0.06000   0.01279