data_global
_amcsd_formula_title 'K0.75MoNbP3O12'
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 1381
_journal_page_last 1383
_publ_section_title
;
 Non-stoichiometry in the KMo2P3O12-tunnel structure:
 the oxide K0.75MoNbP3O12
;
_database_code_amcsd 0010168
_chemical_formula_sum '(Mo Nb) K.75 P3 O12'
_cell_length_a 8.8518
_cell_length_b 9.1453
_cell_length_c 12.5174
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1013.313
_exptl_crystal_density_diffrn      3.298
_symmetry_space_group_name_H-M 'P b c m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '-x,1/2+y,z'
  'x,1/2-y,-z'
  'x,y,1/2-z'
  '-x,-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
Mo   0.24695   0.02586   0.10063   0.50000   0.00861
Nb   0.24695   0.02586   0.10063   0.50000   0.00861
K  -0.17042   0.15917   0.25000   0.75000   0.06523
P1  -0.02884   0.25000   0.00000   1.00000   0.00874
P2   0.40255   0.36752   0.13221   1.00000   0.00937
O1   0.20537   0.01597   0.25000   1.00000   0.01532
O2   0.12745  -0.15602   0.07173   1.00000   0.02052
O3   0.30155   0.04000  -0.06273   1.00000   0.01836
O4   0.37812   0.20556   0.12177   1.00000   0.01963
O5   0.43106  -0.10142   0.12188   1.00000   0.02090
O6   0.06527   0.15356   0.07317   1.00000   0.01849
O7   0.35151   0.41444   0.25000   1.00000   0.01317