data_global
_amcsd_formula_title 'H18 Na6 O30 P6 Te'
loop_
_publ_author_name
'Boudjada N'
'Lambert Andron B'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 172 
_journal_year 1985
_journal_page_first 45
_journal_page_last 53
_publ_section_title
;
 Neutron structural refinement of Te (O H)6 (Na3 P3 O9)2 (H2O)6,
 study of hydrogen bonds
 _cod_database_code 1008321
;
_database_code_amcsd 0016236
_chemical_formula_sum 'Te P6 Na6 O30 H12'
_cell_length_a 11.67
_cell_length_b 11.67
_cell_length_c 12.12
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1429.470
_exptl_crystal_density_diffrn      2.192
_symmetry_space_group_name_H-M 'P 63/m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x+y,-x,1/2-z'
  'x-y,x,1/2+z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  'x-y,x,-z'
  '-x+y,-x,z'
  '-y,x-y,1/2-z'
  'y,-x+y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Te1   0.00000   0.00000   0.00000
P1   0.49800   0.74770   0.49300
Na1   0.13100   0.57090   0.25000
Na2   0.15320   0.87090   0.25000
O1   0.23820   0.48080   0.12800
O2   0.40330   0.59470   0.52630
O3   0.61220   0.80450   0.56960
O4   0.13670   0.00170   0.09320
O5   0.38330   0.03780   0.25000
O6   0.35090   0.32640   0.25000
H1   0.39920   0.09390   0.18740
H3   0.21050   0.06410   0.07320
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
Te1 0.03000 0.03000 0.06210 0.01500 0.00000 0.00000
P1 0.01800 0.02180 0.01190 0.00950 0.00020 0.00280
Na1 0.02300 0.01480 0.03230 0.00750 0.00000 0.00000
Na2 0.01680 0.02760 0.04290 0.00810 0.00000 0.00000
O1 0.02600 0.02300 0.02210 0.00960 0.00160 0.00290
O2 0.01610 0.01960 0.01910 0.00820 -0.00180 0.00250
O3 0.01510 0.02740 0.02310 0.00680 -0.00480 -0.00330
O4 0.04700 0.08010 0.03050 0.05040 -0.01280 -0.01280
O5 0.03490 0.01610 0.03090 0.00960 0.00000 0.00000
O6 0.03120 0.03580 0.02980 0.02170 0.00000 0.00000
H1 0.06230 0.04800 0.03160 0.02870 0.00580 0.00940
H3 0.07040 0.04730 0.03620 0.03770 -0.00580 -0.00130