data_global
_chemical_name_mineral 'Milarite'
loop_
_publ_author_name
'Hawthorne F C'
'Kimata M'
'Cerny P'
'Ball N A'
'Rossman G R'
'Grice J D'
_journal_name_full 'American Mineralogist'
_journal_volume 76 
_journal_year 1991
_journal_page_first 1836
_journal_page_last 1856
_publ_section_title
;
 The crystal chemistry of the milarite-group minerals
 sample #37 from Strange Lake
;
_chemical_formula_sum 'Ca1.38 Y.62 Na.02 K Si12 (Al.36 Be2.64) O30'
_cell_length_a 10.340
_cell_length_b 10.340
_cell_length_c 13.758
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1273.876
_exptl_crystal_density_diffrn      2.608
_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_U_iso_or_equiv
CaA   0.33333   0.66667   0.23140   0.34500   0.00840
YA   0.33333   0.66667   0.23140   0.15500   0.00840
NaB   0.33333   0.66667   0.05000   0.00500 ?
KC   0.00000   0.00000   0.25000   1.00000 ?
Si1   0.08085   0.33800   0.11262   1.00000 ?
Al2   0.00000   0.50000   0.25000   0.12000 ?
Be2   0.00000   0.50000   0.25000   0.88000 ?
O1   0.09410   0.38720   0.00000   1.00000 ?
O2   0.19590   0.27760   0.13270   1.00000 ?
O3   0.11550   0.47470   0.18220   1.00000 ?
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
NaB 0.02380 0.02380 0.03270 0.01190 0.00000 0.00000
KC 0.01720 0.01720 0.01970 0.00860 0.00000 0.00000
Si1 0.00690 0.00950 0.00510 0.00410 -0.00020 -0.00110
Al2 0.00580 0.00480 0.00320 0.00290 0.00000 0.00000
Be2 0.00580 0.00480 0.00320 0.00290 0.00000 0.00000
O1 0.03150 0.02030 0.00420 0.01290 0.00000 0.00000
O2 0.01560 0.02340 0.01750 0.01570 -0.00370 -0.00440
O3 0.01080 0.01120 0.00880 0.00690 -0.00020 -0.00270