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(29a), radial fibrous
;
_database_code_amcsd 0005175
_chemical_compound_source 'Vezna west, Czechoslovakia'
_chemical_formula_sum 'Ca4 Na.24 K1.184 O30.92 Si12 (Be2.55 Al.45) H1.84'
_cell_length_a 10.428
_cell_length_b 10.428
_cell_length_c 13.675
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1287.834
_exptl_crystal_density_diffrn      2.787
_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   0.26460   1.00000   0.01646
NaB   0.33333   0.66667   0.02250   0.06000   0.01646
KB   0.33333   0.66667   0.02250   0.04600   0.01646
WatB   0.33333   0.66667   0.02250   0.23000   0.01646
KC   0.00000   0.00000   0.25000   1.00000   0.02026
SiT1   0.07920   0.33490   0.11410   1.00000   0.01178
BeT2   0.00000   0.50000   0.25000   0.85000   0.02280
AlT2   0.00000   0.50000   0.25000   0.15000   0.02280
O1   0.09080   0.38100   0.00000   1.00000   0.02280
O2   0.19280   0.27520   0.13470   1.00000   0.02026
O3   0.11310   0.47300   0.18070   1.00000   0.01520
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 0.01116 0.01116 0.02842 0.00537 0.00000 0.00000
KC 0.02107 0.02107 0.02084 0.01074 0.00000 0.00000
SiT1 0.01363 0.01529 0.00758 0.00785 0.00000 -0.00125
BeT2 0.01116 0.05413 0.01800 0.02727 0.00000 0.00000
AlT2 0.01116 0.05413 0.01800 0.02727 0.00000 0.00000
O1 0.04132 0.02686 0.00379 0.02066 0.00000 0.00000
O2 0.02355 0.02768 0.01611 0.01818 -0.00563 -0.00501
O3 0.01735 0.01405 0.01326 0.00702 0.00000 -0.00250