data_global
_amcsd_formula_title 'Na3OCl'
loop_
_publ_author_name
'Hippler K'
'Sitta S'
'Vogt P'
'Sabrowsky H'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 46 
_journal_year 1990
_journal_page_first 736
_journal_page_last 738
_publ_section_title
;
 Structure of Na3OCl
;
_database_code_amcsd 0010128
_chemical_formula_sum 'O Cl Na3'
_cell_length_a 4.496
_cell_length_b 4.496
_cell_length_c 4.496
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 90.882
_exptl_crystal_density_diffrn      2.200
_symmetry_space_group_name_H-M 'P m 3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'z,-x,y'
  '-y,z,-x'
  'x,-y,z'
  '-z,x,-y'
  'y,-z,x'
  '-x,y,-z'
  'x,-z,-y'
  '-z,y,x'
  'y,-x,-z'
  '-x,z,y'
  'z,-y,-x'
  '-y,x,z'
  'x,z,y'
  '-z,-y,-x'
  'y,x,z'
  '-x,-z,-y'
  'z,y,x'
  '-y,-x,-z'
  'z,x,-y'
  '-y,-z,x'
  'x,y,-z'
  '-z,-x,y'
  'y,z,-x'
  '-x,-y,z'
  '-z,x,y'
  'y,-z,-x'
  '-x,y,z'
  'z,-x,-y'
  '-y,z,x'
  'x,-y,-z'
  '-x,z,-y'
  'z,-y,x'
  '-y,x,-z'
  'x,-z,y'
  '-z,y,-x'
  'y,-x,z'
  '-x,-z,y'
  'z,y,-x'
  '-y,-x,z'
  'x,z,-y'
  '-z,-y,x'
  'y,x,-z'
  '-z,-x,-y'
  'y,z,x'
  '-x,-y,-z'
  'z,x,y'
  '-y,-z,-x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
O   0.00000   0.00000   0.00000
Cl   0.50000   0.50000   0.50000
Na   0.50000   0.00000   0.00000
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
O 0.01330 0.01330 0.01330 0.00000 0.00000 0.00000
Cl 0.02810 0.02810 0.02810 0.00000 0.00000 0.00000
Na 0.01250 0.05430 0.05430 0.00000 0.00000 0.00000