data_global
_chemical_name_mineral 'Bystrite'
loop_
_publ_author_name
'Pobedimskaya E A'
'Terent'eva L E'
'Sapozhnikov A N'
'Kashaev A A'
'Dorokhova G I'
_journal_name_full 'Doklady Akademii Nauk SSSR'
_journal_volume 319 
_journal_year 1991
_journal_page_first 873
_journal_page_last 878
_publ_section_title
;
 Crystal structure of bystrite
;
_database_code_amcsd 0012484
_chemical_formula_sum 'Ca.94 Na4.8 K1.6 (Si6.12 Al5.88) O24.48 S3.54 Cl.48 H.96'
_cell_length_a 12.859
_cell_length_b 12.859
_cell_length_c 10.697
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1531.817
_exptl_crystal_density_diffrn      2.307
_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'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ca   0.00000   0.00000   0.00000   0.94000   0.01089
Na1   0.13600   0.28900   0.25800   0.30000   0.02609
K1   0.13600   0.28900   0.25800   0.10000   0.02609
Na2   0.02800   0.51200   0.02500   0.60000   0.02330
K2   0.02800   0.51200   0.02500   0.20000   0.02330
Na3   0.38800   0.19200   0.77700   0.45000   0.02432
K3   0.38800   0.19200   0.77700   0.15000   0.02432
Na4   0.66667   0.33333   0.22900   0.75000   0.02736
K4   0.66667   0.33333   0.22900   0.25000   0.02736
Si1   0.25380   0.25190   0.01420   0.51000   0.01178
Al1   0.25380   0.25190   0.01420   0.49000   0.01178
Si2   0.67050   0.08090   0.25970   0.51000   0.00633
Al2   0.67050   0.08090   0.25970   0.49000   0.00633
Si3   0.07990   0.41490   0.76010   0.51000   0.01064
Al3   0.07990   0.41490   0.76010   0.49000   0.01064
Si4   0.25710   0.00220   0.01430   0.51000   0.00228
Al4   0.25710   0.00220   0.01430   0.49000   0.00228
O1   0.34600   0.01100   0.39800   1.00000   0.02318
O2   0.23800   0.11900  -0.01700   1.00000   0.03432
O3   0.67900   0.00200   0.14900   1.00000   0.00899
O4   0.65900   0.01300   0.40100   1.00000   0.01836
O5   0.22900   0.11600   0.50500   1.00000   0.02343
O6   0.07400   0.53900   0.74000   1.00000   0.01317
O7   0.22500   0.45100   0.76700   1.00000   0.02824
O8  -0.00400   0.30600   0.15300   1.00000   0.02419
S1   0.55100   0.26900   0.74400   0.40000   0.03863
S2   0.58200   0.27600   0.52700   0.23000   0.00937
S3   0.58800   0.28400  -0.01400   0.25000   0.01887
S4   0.61600   0.26300   0.90400   0.30000   0.03483
Cl   0.00000   0.00000   0.24500   0.48000   0.02837
Wat9   0.00000   0.00000   0.75300   0.48000   0.01862