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 1000107
;
_database_code_amcsd 0012553
_chemical_formula_sum 'Cs Al F4'
_cell_length_a 10.5576
_cell_length_b 6.7500
_cell_length_c 17.5954
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1253.915
_exptl_crystal_density_diffrn      3.748
_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
Cs1   0.19200   0.25000   0.81790
Cs2   0.37760   0.25000   0.04130
Cs3   0.06640   0.25000   0.22860
Al1   0.26260   0.75000   0.92080
Al2   0.00000   0.00000   0.00000
Al3   0.29370   0.25000   0.62990
F1   0.20370   0.04800   0.65990
F2   0.29000   0.25000   0.32570
F3   0.22540   0.25000   0.53210
F4   0.44320   0.75000   0.50810
F5   0.36860   0.07000   0.44150
F6   0.41550   0.43500   0.58100
F7   0.39950   0.25000   0.71090
F8   0.36840   0.57000   0.91440