data_global
_amcsd_formula_title 'CsAlF4'
loop_
_publ_author_name
'Bentrup U'
'Le Bail A'
'Duroy H'
'Fourquet J'
_journal_name_full 'European Journal of Solid State and Inorganic Chemistry'
_journal_volume 29 
_journal_year 1992
_journal_page_first 371
_journal_page_last 381
_publ_section_title
;
 Polymorphism of CsAlF4. Synthesis and structure of two new crystalline forms
 _cod_database_code 1000106
;
_database_code_amcsd 0012552
_chemical_formula_sum 'Cs5 Al5 F20'
_cell_length_a 11.8101
_cell_length_b 11.8101
_cell_length_c 13.3741
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1865.399
_exptl_crystal_density_diffrn      4.200
_symmetry_space_group_name_H-M 'I -4 c 2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'y,x,1/2-z'
  '1/2+y,1/2+x,-z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,+z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  '-y,-x,1/2-z'
  '1/2-y,1/2-x,-z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  '-x,y,1/2+z'
  '1/2-x,1/2+y,+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cs1   0.00000   0.00000   0.25000
Cs2   0.33910   0.84140   0.68500
Al1   0.50000   0.00000   0.00000
Al2   0.79270   0.07640   0.00600
F1   0.34450  -0.00040   0.01100
F2   0.13980   0.07170   0.01150
F3   0.07200   0.21900   0.13100
F4   0.92000   0.80100   0.87200
F5   0.21560   0.71560   0.50000
F6   0.00000   0.50000   0.13380