data_global
_chemical_name_mineral 'Diopside'
loop_
_publ_author_name
'Warren B'
'Biscoe J'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 80 
_journal_year 1931
_journal_page_first 391
_journal_page_last 401
_publ_section_title
;
 The Crystal Structure of monoclinic pyroxenes
 _cod_database_code 1011047
;
_database_code_amcsd 0017949
_chemical_formula_sum 'Ca Mg Si2 O6'
_cell_length_a 9.71
_cell_length_b 8.89
_cell_length_c 5.24
_cell_angle_alpha 90
_cell_angle_beta 74.17
_cell_angle_gamma 90
_cell_volume 435.172
_exptl_crystal_density_diffrn      3.305
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca1   0.00000  -0.31000   0.25000
Mg1   0.00000   0.08000   0.25000
Si1   0.21000   0.41000   0.24000
O1   0.38000   0.40000   0.14000
O2   0.14000   0.25000   0.32000
O3   0.16000   0.48000   0.00000