data_global
_chemical_name_mineral 'Megawite'
loop_
_publ_author_name
'Vegas A'
'Vallet-Regi M'
'Gonzalez-Calbet J M'
'Alario-Franco M A'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 42 
_journal_year 1986
_journal_page_first 167
_journal_page_last 172
_publ_section_title
;
 The ASnO3 (A = Ca, Sr) perovskites
;
_database_code_amcsd 0018625
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ca Sn O3'
_cell_length_a 5.532
_cell_length_b 5.681
_cell_length_c 7.906
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 248.464
_exptl_crystal_density_diffrn      5.528
_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  -0.01310   0.05090   0.25000   0.00750
Sn   0.00000   0.50000   0.00000   0.00350
O1   0.09940   0.46150   0.25000   0.00700
O2   0.69920   0.29810   0.05140   0.00700