data_global
_amcsd_formula_title 'As3 Cs5 Si'
loop_
_publ_author_name
'Eisenmann B'
'Klein J'
'Somer M'
_journal_name_full 'Angewandte Chemie'
_journal_volume 102 
_journal_year 1990
_journal_page_first 92
_journal_page_last 93
_publ_section_title
;
 C O3^2-^ - isostere Anionen in Cs5SiP3, Cs5SiAs3, Cs5GeP3 und Cs5GeAs3
 _cod_database_code 1008430
;
_database_code_amcsd 0016337
_chemical_formula_sum 'Cs5 Si As3'
_cell_length_a 14.467
_cell_length_b 6.043
_cell_length_c 15.820
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1383.049
_exptl_crystal_density_diffrn      4.406
_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   0.56750   0.25000   0.45230
Cs2   0.62010   0.25000   0.68640
Cs3   0.85500   0.25000   0.54970
Cs4   0.27910   0.25000   0.20410
Cs5   0.05080   0.25000   0.34500
Si1   0.26040   0.25000   0.56660
As1   0.10440   0.25000   0.58770
As2   0.30350   0.25000   0.42900
As3   0.36750   0.25000   0.67690
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Cs1 0.02560 0.02690 0.03240 0.00000 -0.00120 0.00000
Cs2 0.03690 0.02610 0.02020 0.00000 0.00090 0.00000
Cs3 0.02720 0.02600 0.03760 0.00000 -0.00320 0.00000
Cs4 0.03560 0.02350 0.02210 0.00000 -0.00210 0.00000
Cs5 0.03540 0.04140 0.05170 0.00000 -0.00810 0.00000
Si1 0.01570 0.01400 0.01790 0.00000 -0.00070 0.00000
As1 0.01490 0.02830 0.02000 0.00000 0.00080 0.00000
As2 0.02000 0.02800 0.01770 0.00000 0.00370 0.00000
As3 0.02280 0.02610 0.02530 0.00000 -0.01200 0.00000