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 = 5.98 GPa
;
_database_code_amcsd 0018611
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ca Sn O3'
_cell_length_a 5.44480
_cell_length_b 5.60887
_cell_length_c 7.78906
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 237.871
_exptl_crystal_density_diffrn      5.774
_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  -0.01314   0.05280   0.25000   0.00690
Sn   0.00000   0.50000   0.50000   0.00370
O1   0.10190   0.46340   0.25000   0.00671
O2   0.69580   0.29930   0.05330   0.00684
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 0.00691 0.00622 0.00765 -0.00139 0.00000 0.00000
Sn 0.00401 0.00355 0.00357 0.00000 0.00011 0.00004
O1 0.00856 0.00781 0.00400 -0.00186 0.00000 0.00000
O2 0.00676 0.00446 0.00922 -0.00217 0.00064 -0.00221