data_global
_chemical_name_mineral 'Enstatite'
loop_
_publ_author_name
'Hugh-Jones D A'
'Angel R J'
_journal_name_full 'American Mineralogist'
_journal_volume 79 
_journal_year 1994
_journal_page_first 405
_journal_page_last 410
_publ_section_title
;
 A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa
 Sample: P = 5.85 GPa
;
_database_code_amcsd 0001650
_chemical_formula_sum 'Mg Si O3'
_cell_length_a 18.011
_cell_length_b 8.652
_cell_length_c 5.102
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 795.051
_exptl_crystal_density_diffrn      3.355
_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_U_iso_or_equiv
Mg1   0.37630   0.65760   0.85690   0.00646
Mg2   0.37720   0.48370   0.34890   0.00507
SiA   0.27100   0.34360   0.04140   0.00342
SiB   0.47270   0.33680   0.80320   0.00355
O1a   0.18210   0.34400   0.02400   0.00291
O2a   0.30980   0.50800   0.03200   0.00773
O3a   0.30340   0.22200   0.82000   0.00025
O1b   0.56130   0.33800   0.81100   0.00659
O2b   0.43240   0.48500   0.68600   0.00253
O3b   0.44600   0.19000   0.61300   0.00253