data_global
_amcsd_formula_title 'P4W24O80'
loop_
_publ_author_name
'Roussel P'
'Mather G'
'Domenges B'
'Groult D'
'Labbe P'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 54 
_journal_year 1998
_journal_page_first 365
_journal_page_last 375
_publ_section_title
;
 Structural investigation of P4W24O80: A new monophosphate tungsten bronze
 _cod_database_code 1001821
;
_database_code_amcsd 0009905
_chemical_formula_sum 'W6 P O20'
_cell_length_a 5.312
_cell_length_b 6.5557
_cell_length_c 42.196
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1469.428
_exptl_crystal_density_diffrn      6.573
_symmetry_space_group_name_H-M 'P 21 21 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
W1   0.24310   0.42720   0.69885
W2   0.25100   0.09960   0.62523
W3   0.25260   0.75780   0.55324
W4   0.26220   0.41370   0.48215
W5   0.76260   0.42990   0.58941
W6   0.75920   0.76930   0.66258
P1   0.76200   0.11440   0.72430
O1   0.73000   0.05800   0.75900
O2   0.54700   0.26300   0.71700
O3   0.02500   0.21100   0.71930
O4  -0.02200   0.56600   0.68880
O5   0.47700   0.60900   0.68370
O6   0.26000   0.25800   0.66490
O7   0.53700   0.94600   0.64660
O8   0.03800   0.90200   0.64870
O9   0.46900   0.26900   0.60640
O10  -0.03600   0.24400   0.61660
O11   0.26900  -0.06600   0.59200
O12   0.54700   0.62600   0.57350
O13   0.04300   0.56400   0.57440
O14   0.47500   0.93500   0.53210
O15  -0.03700   0.89800   0.54120
O16   0.23300   0.59100   0.51810
O17   0.54200   0.28100   0.49880
O18   0.77200   0.25600   0.55560
O19   0.77800   0.58200   0.63020
O20   0.72600  -0.08600   0.70440
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
W1 0.00840 0.00810 0.00577 0.00550 -0.00430 -0.00256
W2 0.00920 0.00750 0.00704 0.00450 -0.00560 -0.00156
W3 0.01100 0.00990 0.00839 -0.00200 0.00420 -0.00233
W4 0.00510 0.01150 0.00884 0.00110 -0.00503 -0.00196
W5 0.00990 0.00880 0.00740 -0.00260 0.00597 -0.00101
W6 0.00930 0.00660 0.00649 -0.00270 0.00190 -0.00130