data_global
_amcsd_formula_title 'KMo2P3O13'
loop_
_publ_author_name
'Leclaire A'
'Borel M M'
'Grandin A'
'Raveau B'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 46 
_journal_year 1990
_journal_page_first 2009
_journal_page_last 2011
_publ_section_title
;
 Structure of a molybdenum(V) phosphate Beta-KMo2P3O13
;
_database_code_amcsd 0010199
_chemical_formula_sum 'Mo2 P3 K O13'
_cell_length_a 9.701
_cell_length_b 18.848
_cell_length_c 6.389
_cell_angle_alpha 90
_cell_angle_beta 106.96
_cell_angle_gamma 90
_cell_volume 1117.387
_exptl_crystal_density_diffrn      3.162
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Mo1   0.06417   0.16238   0.38290   1.00000   0.00659
Mo2   0.61627   0.37300   0.18747   1.00000   0.00656
P1   0.29700   0.59086   0.26860   1.00000   0.00811
P2   0.30530   0.46506   0.00820   1.00000   0.00735
P3  -0.03430   0.32612   0.34040   1.00000   0.00747
K1   0.05210   0.00340  -0.02420   0.50000   0.05699
K2   0.36150   0.16480   0.04160   0.50000   0.05547
O1   0.21410   0.21060   0.44830   1.00000   0.01532
O2   0.06050   0.15220   0.06850   1.00000   0.01178
O3   0.05280   0.15120   0.68640   1.00000   0.01317
O4   0.51270   0.06320   0.41540   1.00000   0.01051
O5  -0.07080   0.24740   0.32280   1.00000   0.01203
O6  -0.13950   0.10660   0.28040   1.00000   0.01418
O7   0.57730   0.28740   0.19310   1.00000   0.02001
O8   0.62490   0.37150  -0.12700   1.00000   0.01115
O9   0.61710   0.40000   0.49360   1.00000   0.01127
O10   0.82960   0.37060   0.28850   1.00000   0.01406
O11   0.40790   0.40360   0.08370   1.00000   0.01216
O12   0.65730   0.48560   0.15020   1.00000   0.01102
O13   0.30870   0.50730   0.22580   1.00000   0.01127