data_global
_amcsd_formula_title 'Cs Mo3 O25 P5.8 Si2'
loop_
_publ_author_name
'Leclaire A'
'Monier J'
'Raveau B'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 41 
_journal_year 1985
_journal_page_first 1719
_journal_page_last 1720
_publ_section_title
;
 Structure of Cs Mo3 P5.8 Si2 O25
 _cod_database_code 1001334
;
_database_code_amcsd 0010018
_chemical_formula_sum 'Mo3 Cs P5.802 Si2 O25'
_cell_length_a 8.2642
_cell_length_b 8.2642
_cell_length_c 17.559
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1038.561
_exptl_crystal_density_diffrn      3.379
_symmetry_space_group_name_H-M 'P -3 1 c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x-y,-y,1/2+z'
  'y,-x+y,-z'
  '-y,-x,1/2-z'
  '-x+y,-x,z'
  '-x,-x+y,1/2+z'
  '-x,-y,-z'
  '-x+y,y,1/2-z'
  '-y,x-y,z'
  'y,x,1/2+z'
  'x-y,x,-z'
  'x,x-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mo1   0.33333  -0.33330   0.02137   1.00000
Mo2  -0.33330   0.33333   0.25000   1.00000
Cs1   0.33333  -0.33330   0.25000   1.00000
P1   0.37931   0.32974   0.11024   0.96700
Si1   0.00000   0.00000   0.09030   1.00000
O1   0.11095  -0.41158   0.09285   1.00000
O2  -0.19291   0.24313   0.45308   1.00000
O3   0.46617   0.33466   0.18691   1.00000
O4   0.00000   0.00000   0.00000   1.00000
O5   0.03544  -0.16229   0.12292   1.00000