data_global
_amcsd_formula_title 'Cs2 P2 Si'
loop_
_publ_author_name
'Eisenmann B'
'Klein J'
_journal_name_full 'Journal of the Less-Common Metals'
_journal_volume 175 
_journal_year 1991
_journal_page_first 109
_journal_page_last 117
_publ_section_title
;
 SiS2-isostrukturelle Anionen (SiP2^2-^),(GeAs2^2-^) und
 (SnAs2^2-^) in Alkaliverbindungen
 _cod_database_code 1008522
;
_database_code_amcsd 0016415
_chemical_formula_sum 'Cs2 Si P2'
_cell_length_a 14.127
_cell_length_b 7.462
_cell_length_c 6.196
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 653.156
_exptl_crystal_density_diffrn      3.619
_symmetry_space_group_name_H-M 'I b a m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,-z'
  '-x,y,1/2+z'
  '1/2-x,1/2+y,+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'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cs1   0.35110   0.33640   0.00000
Si1   0.50000   0.00000   0.25000
P1   0.08730   0.34800   0.00000
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 0.02770 0.02810 0.02710 0.00760 0.00000 0.00000
Si1 0.01840 0.01380 0.01230 0.00000 0.00000 0.00000
P1 0.02050 0.01740 0.01940 0.00750 0.00000 0.00000