data_global
_chemical_name_mineral 'Swedenborgite'
loop_
_publ_author_name
'Huminicki D M C'
'Hawthorne F C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 39 
_journal_year 2001
_journal_page_first 153
_journal_page_last 158
_publ_section_title
;
 Refinement of the crystal structure of swedenborgite
;
_database_code_amcsd 0005708
_chemical_formula_sum 'Sb Na.89 Ca.04 Be4 O7'
_cell_length_a 5.4317
_cell_length_b 5.4317
_cell_length_c 8.8571
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 226.305
_exptl_crystal_density_diffrn      4.283
_symmetry_space_group_name_H-M 'P 63 m c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x-y,x,1/2+z'
  '-y,-x,z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x,-y,1/2+z'
  'x,x-y,z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  'y,-x+y,1/2+z'
  '-x+y,y,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sb   0.33333   0.66667   0.00000   1.00000
Na   0.33333   0.66667   0.62450   0.89000
Ca   0.33333   0.66667   0.62450   0.04000
Be1   0.00000   0.00000   0.06290   1.00000
Be2   0.16640   0.83360   0.31260   1.00000
O1   0.00000   0.00000   0.37280   1.00000
O2   0.49610   0.50390   0.37060   1.00000
O3   0.16160   0.83840   0.12690   1.00000
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
Sb 0.00330 0.00330 0.00320 0.00170 0.00000 0.00000
Na 0.01540 0.01540 0.01520 0.00770 0.00000 0.00000
Ca 0.01540 0.01540 0.01520 0.00770 0.00000 0.00000
Be1 0.00350 0.00350 0.00440 0.00170 0.00000 0.00000
Be2 0.00470 0.00470 0.00590 0.00190 0.00090 -0.00090
O1 0.00560 0.00560 0.00560 0.00280 0.00000 0.00000
O2 0.00460 0.00460 0.00800 0.00200 -0.00230 0.00230
O3 0.00770 0.00770 0.00490 0.00600 -0.00020 0.00020