data_global
_chemical_name_mineral 'Nahcolite'
loop_
_publ_author_name
'Zachariasen W'
_journal_name_full 'Journal of Chemical Physics'
_journal_volume 1 
_journal_year 1933
_journal_page_first 634
_journal_page_last 639
_publ_section_title
;
 The Crystal Lattice of Sodium Bicarbonate, Na H C O3
 _cod_database_code 1011016
;
_database_code_amcsd 0017923
_chemical_formula_sum 'Na C O3 H'
_cell_length_a 7.51
_cell_length_b 9.70
_cell_length_c 3.53
_cell_angle_alpha 90
_cell_angle_beta 93.32
_cell_angle_gamma 90
_cell_volume 256.718
_exptl_crystal_density_diffrn      2.174
_symmetry_space_group_name_H-M 'P 1 21/n 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-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
Na1   0.27800   0.00000   0.70800
C1   0.06900   0.23600   0.31400
O1   0.06900   0.36700   0.31400
O2   0.20000   0.16900   0.18300
O3   0.93900   0.16900   0.44400
H1   0.31900   0.25000   0.06400