data_9004153
_chemical_name '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
 Locality: Vezna west, Czechoslovakia
;
_chemical_formula_sum 'Ca4 Na.24 K1.184 O30.68 Si12 (Be2.55 Al.45) H2.72'
_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
_symmetry_space_group_name_H-M 'P 6/m c c'
loop_
_symmetry_equiv_pos_as_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_Uiso_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