data_global
_chemical_name_mineral 'Dmisteinbergite'
loop_
_publ_author_name
'Takeuchi Y'
'Donnay G'
_journal_name_full 'Acta Crystallographica'
_journal_volume 12 
_journal_year 1959
_journal_page_first 465
_journal_page_last 470
_publ_section_title
;
 The crystal structure of hexagonal CaAl2Si2O8
;
_database_code_amcsd 0009229
_chemical_formula_sum 'Ca (Al2 Si2) O8'
_cell_length_a 5.10
_cell_length_b 5.10
_cell_length_c 14.72
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 331.573
_exptl_crystal_density_diffrn      2.787
_symmetry_space_group_name_H-M 'P 63/m c m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,z'
  'x,x-y,-z'
  '-x+y,-x,1/2-z'
  'x-y,x,1/2+z'
  '-y,-x,1/2+z'
  'y,x,1/2-z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x-y,-y,z'
  '-x+y,y,-z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  'x,x-y,1/2+z'
  '-x,-x+y,1/2-z'
  'x-y,x,-z'
  '-x+y,-x,z'
  'y,x,z'
  '-y,-x,-z'
  '-y,x-y,1/2-z'
  'y,-x+y,1/2+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
Ca   0.00000   0.00000   0.00000   1.00000
Al   0.33333   0.66667   0.13750   0.50000
Si   0.33333   0.66667   0.13750   0.50000
O1   0.33333   0.66667   0.25000   1.00000
O2   0.37000   0.00000   0.10000   1.00000