data_global
_amcsd_formula_title 'Cu2 Mg3 Na2 O30 Si12'
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
 _cod_database_code 1001139
;
_database_code_amcsd 0013398
_chemical_formula_sum 'Na2 (Mg3 Cu2) Si12 O30'
_cell_length_a 10.096
_cell_length_b 10.096
_cell_length_c 14.25
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1257.894
_exptl_crystal_density_diffrn      2.807
_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
Na1   0.00000   0.00000   0.25000   0.40000
Na2   0.33333   0.66667   0.00000   0.80000
Mg1   0.33333   0.66667   0.25000   0.92500
Mg2   0.50000   0.00000   0.25000   0.38330
Cu1   0.33333   0.66667   0.25000   0.07500
Cu2   0.50000   0.00000   0.25000   0.61670
Si1   0.76300   0.10900   0.10800   1.00000
O1   0.73800   0.13700   0.00000   1.00000
O2   0.94200   0.21300   0.13800   1.00000
O3   0.66500   0.15600   0.16400   1.00000