data_global
_amcsd_formula_title 'H4 K4 Mo N8 O2'
loop_
_publ_author_name
'Hoard J'
'Nordsieck H'
_journal_name_full 'Journal of the American Chemical Society'
_journal_volume 61 
_journal_year 1939
_journal_page_first 2853
_journal_page_last 2863
_publ_section_title
;
 The Structure of Potassium Molybdocyanide Dihydrate. The Configuration
 of the Molybdenum Octocyanide Group
 _cod_database_code 1010103
;
_database_code_amcsd 0017036
_chemical_formula_sum 'K4 Mo C8 N8 O2'
_cell_length_a 16.55
_cell_length_b 11.7
_cell_length_c 8.68
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1680.752
_exptl_crystal_density_diffrn      1.946
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
K1   0.14700   0.04200   0.69000
K2   0.36300   0.25000   0.53000
K3  -0.03700   0.25000   0.47700
Mo1   0.13500   0.25000   0.09400
C1   0.03600   0.15000   0.18000
C2   0.16800   0.07000   0.07200
C3   0.05900   0.25000  -0.09000
C4   0.21400   0.25000  -0.10500
C5   0.26400   0.25000   0.17500
C6   0.14000   0.25000   0.34000
N1  -0.00900   0.08000   0.21000
N2   0.18100  -0.02500   0.05500
N3   0.01500   0.25000  -0.21000
N4   0.25600   0.25000  -0.21600
N5   0.32500   0.25000   0.21400
N6   0.14000   0.25000   0.46700
O1   0.11000  -0.05000   0.40000