data_global
_chemical_name_mineral 'Megawite'
loop_
_publ_author_name
'Zhao J'
'Ross N L'
'Angel R J'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 31 
_journal_year 2004
_journal_page_first 299
_journal_page_last 305
_publ_section_title
;
 Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from
 single-crystal X-ray diffraction
 Note: P = 3.94 GPa
;
_database_code_amcsd 0018609
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ca Sn O3'
_cell_length_a 5.4676
_cell_length_b 5.6267
_cell_length_c 7.8186
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 240.536
_exptl_crystal_density_diffrn      5.710
_symmetry_space_group_name_H-M 'P b n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-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
Ca  -0.01313   0.05170   0.25000   0.00673
Sn   0.00000   0.50000   0.50000   0.00353
O1   0.10140   0.46510   0.25000   0.00494
O2   0.69670   0.29960   0.05200   0.00646
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ca 0.00621 0.00706 0.00691 -0.00056 0.00000 0.00000
Sn 0.00376 0.00379 0.00307 0.00006 0.00002 0.00018
O1 0.00409 0.00898 0.00186 -0.00047 0.00000 0.00000
O2 0.00606 0.00529 0.00805 -0.00203 0.00108 -0.00045