data_global
_chemical_name_mineral 'Hypersthene'
loop_
_publ_author_name
'Warren B'
'Modell D'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 75 
_journal_year 1930
_journal_page_first 1
_journal_page_last 14
_publ_section_title
;
 The Structure of Enstatite, Mg Si O3
 _cod_database_code 1011238
;
_database_code_amcsd 0018104
_chemical_formula_sum '(Mg.7 Fe.3) Si O3'
_cell_length_a 18.2
_cell_length_b 8.86
_cell_length_c 5.2
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 838.510
_exptl_crystal_density_diffrn      3.481
_symmetry_space_group_name_H-M 'P b c a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-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
Mg1   0.13000   0.33000   0.37000   0.70000
Mg2   0.13000  -0.04000   0.37000   0.70000
Fe1   0.13000   0.33000   0.37000   0.30000
Fe2   0.13000  -0.04000   0.37000   0.30000
Si1   0.03000  -0.35000   0.29000   1.00000
Si2   0.22000  -0.15000   0.04000   1.00000
O1   0.06000   0.14000   0.20000   1.00000
O2   0.06000   0.50000   0.20000   1.00000
O3   0.05000  -0.25000   0.05000   1.00000
O4   0.19000   0.35000   0.06000   1.00000
O5   0.19000   0.01000   0.05000   1.00000
O6   0.20000  -0.25000   0.30000   1.00000

