data_9009972
_chemical_name 'Na3Mg4LiSi12O30'
loop_
_publ_author_name
'Nguyen N'
'Choisnet J'
'Raveau B'
_journal_name_full "Journal of Solid State Chemistry"
_journal_volume 34
_journal_year 1980
_journal_page_first 1
_journal_page_last 9
_publ_section_title
;
 Silicates synthetiques a structure milarite
 Locality: synthetic
;
_chemical_formula_sum 'Na3 Mg4 Li Si12 O30'
_cell_length_a 10.155
_cell_length_b 10.155
_cell_length_c 14.158
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1264.423
_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
NaA1   0.00000   0.00000   0.25000   1.00000   0.03293
NaA2   0.33333   0.66667   0.00000   1.00000   0.02660
MgM1   0.33333   0.66667   0.25000   1.00000   0.01140
MgM2   0.50000   0.00000   0.25000   0.66670   0.01520
LiM1   0.50000   0.00000   0.25000   0.33330   0.01520
Si   0.76300   0.11000   0.10800   1.00000   0.01013
O1   0.73800   0.13800   0.00000   1.00000   0.01773
O2   0.93700   0.20700   0.13600   1.00000   0.01267
O3   0.66900   0.16000   0.16400   1.00000   0.00887