data_global
_amcsd_formula_title 'K7.333 O48.667 P12 V10'
loop_
_publ_author_name
'Benmoussa A'
'Borel M'
'Grandin A'
'Leclaire A'
'Raveau B'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 97 
_journal_year 1992
_journal_page_first 314
_journal_page_last 318
_publ_section_title
;
 Langbeinite, a host lattice for "V3O" clusters: the trivalent
 vanadium phosphate K11V15P18O73
 _cod_database_code 1001555
;
_database_code_amcsd 0013733
_chemical_formula_sum 'P3 V2.5 K1.833 O12.167'
_cell_length_a 9.896
_cell_length_b 9.896
_cell_length_c 9.896
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 969.123
_exptl_crystal_density_diffrn      3.335
_symmetry_space_group_name_H-M 'P 21 3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-z,-x,1/2+y'
  '-z,1/2+x,1/2-y'
  '1/2+z,1/2-x,-y'
  'z,x,y'
  '1/2+y,1/2-z,-x'
  '1/2-y,-z,1/2+x'
  '-y,1/2+z,1/2-x'
  'y,z,x'
  '-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
_atom_site_occupancy
P1   0.48040   0.71010   0.37530   1.00000
V1   0.66315   0.66315   0.66315   1.00000
V2   0.39579   0.39579   0.39579   1.00000
V3   0.46740   0.17420   0.58950   0.16670
K1   0.18120   0.18120   0.18120   1.00000
K2   0.95620   0.95620   0.95620   0.83330
O1   0.59930   0.83370   0.74940   1.00000
O2   0.45520   0.30180   0.23000   1.00000
O3   0.49050   0.56320   0.32880   1.00000
O4   0.55990   0.73360   0.50610   1.00000
O5  -0.01600  -0.01600  -0.01600   0.16670