data_global
_amcsd_formula_title 'Ca.4Sr.6TiOGeO4'
loop_
_publ_author_name
'Ellemann-Olesen R'
'Malcherek T'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 32 
_journal_year 2005
_journal_page_first 531
_journal_page_last 545
_publ_section_title
;
 The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4
 Note: titanite-type structure
 Sample: Sr60
;
_database_code_amcsd 0008993
_chemical_formula_sum 'Sr.61 Ca.389 Ti Ge O5'
_cell_length_a 7.1929
_cell_length_b 8.9996
_cell_length_c 6.7295
_cell_angle_alpha 90
_cell_angle_beta 113.647
_cell_angle_gamma 90
_cell_volume 399.045
_exptl_crystal_density_diffrn      4.486
_symmetry_space_group_name_H-M 'P 1 21/a 1'
loop_
_space_group_symop_operation_xyz
  'x,y,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_occupancy
_atom_site_U_iso_or_equiv
Sr   0.24520   0.42070   0.24990   0.61000   0.02700
Ca   0.24520   0.42070   0.24990   0.38900   0.02700
Ti   0.51160   0.25110   0.74460   1.00000   0.01300
Ge   0.74990   0.43410   0.24720   1.00000   0.01500
O1   0.75200   0.30950   0.75400   1.00000   0.00700
O2A   0.91080   0.30460   0.41870   1.00000   0.00700
O2B   0.07270   0.18480   0.04570   1.00000   0.00700
O3A   0.39500   0.46020   0.64920   1.00000   0.00700
O3B   0.60000   0.04600   0.84720   1.00000   0.00700