data_1010490
_chemical_name_systematic          'Ammonia'
_chemical_formula_structural       'N H3'
_chemical_formula_sum              'H3 N'
_publ_section_title                'Das Gitter des Ammoniaks.'
loop_
_publ_author_name
  'Mark, H'
  'Pohland, E'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    61
_journal_year                      1925
_journal_page_first                532
_journal_page_last                 537
_cell_length_a                     5.193
_cell_length_b                     5.193
_cell_length_c                     5.193
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       140.0
_cell_formula_units_Z              4
_exptl_crystal_density_meas        0.8
_symmetry_space_group_name_H-M     'P 21 3'
_symmetry_Int_Tables_number        198
_symmetry_cell_setting             cubic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'y,z,x'
  'z,x,y'
  '1/2+x,1/2-y,-z'
  '1/2+y,1/2-z,-x'
  '1/2+z,1/2-x,-y'
  '-x,1/2+y,1/2-z'
  '-y,1/2+z,1/2-x'
  '-z,1/2+x,1/2-y'
  '1/2-x,-y,1/2+z'
  '1/2-y,-z,1/2+x'
  '1/2-z,-x,1/2+y'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  N3-   -3.000
  H1+    1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  N1    N3-    4 a 0.22 0.22 0.22 1.  3 d
  H1    H1+    4 a -1. -1. -1. 3.  0 dum