data_global
_chemical_name_mineral 'Milarite'
loop_
_publ_author_name
'Cerny P'
'Hawthorne F C'
'Jarosewich E'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 18 
_journal_year 1980
_journal_page_first 41
_journal_page_last 57
_publ_section_title
;
 Crystal chemistry of milarite
 Note: sample Vezna(29b), radial fibrous
;
_database_code_amcsd 0005176
_chemical_compound_source 'Vezna west, Czechoslovakia'
_chemical_formula_sum 'Ca4 Na.24 K1.184 O30.68 Si12 (Be2.55 Al.45) H1.36'
_cell_length_a 10.417
_cell_length_b 10.417
_cell_length_c 13.688
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1286.340
_exptl_crystal_density_diffrn      2.779
_symmetry_space_group_name_H-M 'P 6/m c c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x,x-y,1/2-z'
  '-x+y,-x,-z'
  'x-y,x,z'
  '-y,-x,1/2+z'
  'y,x,1/2-z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x+y,y,1/2-z'
  'x,y,-z'
  '-x,-y,z'
  'x,x-y,1/2+z'
  '-x,-x+y,1/2-z'
  'x-y,x,-z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  '-y,-x,1/2-z'
  '-y,x-y,-z'
  'y,-x+y,z'
  '-x+y,y,1/2+z'
  'x-y,-y,1/2-z'
  '-x,-y,-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
CaA   0.33333   0.66667   0.26440   1.00000   0.01646
NaB   0.33333   0.66667   0.02060   0.06000   0.01646
KB   0.33333   0.66667   0.02060   0.04600   0.01646
WatB   0.33333   0.66667   0.02060   0.17000   0.01646
KC   0.00000   0.00000   0.25000   1.00000   0.02406
SiT1   0.07940   0.33510   0.11440   1.00000   0.01267
BeT2   0.00000   0.50000   0.25000   0.85000   0.03166
AlT2   0.00000   0.50000   0.25000   0.15000   0.03166
O1   0.09360   0.38320   0.00000   1.00000   0.03293
O2   0.19080   0.27290   0.13380   1.00000   0.02280
O3   0.11360   0.47410   0.17970   1.00000   0.01646
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
CaA 0.01154 0.01154 0.02468 0.00577 0.00000 0.00000
KC 0.02969 0.02969 0.01329 0.01484 0.00000 0.00000
SiT1 0.01814 0.01979 0.00000 0.01031 0.00000 -0.00250
BeT2 0.02268 0.06885 0.01709 0.03422 0.00000 0.00000
AlT2 0.02268 0.06885 0.01709 0.03422 0.00000 0.00000
O1 0.06597 0.04288 -0.00380 0.03134 0.00000 0.00000
O2 0.02927 0.04453 0.00475 0.02721 -0.00313 -0.00563
O3 0.02062 0.02185 0.00759 0.01196 -0.00063 -0.00438