data_global
_chemical_name_mineral 'Tilleyite'
loop_
_publ_author_name
'Smith J V'
_journal_name_full 'Acta Crystallographica'
_journal_volume 6 
_journal_year 1953
_journal_page_first 9
_journal_page_last 18
_publ_section_title
;
 The crystal structure of tilleyite
;
_database_code_amcsd 0009150
_chemical_formula_sum 'Ca5 Si2 C2 O13'
_cell_length_a 15.025
_cell_length_b 10.269
_cell_length_c 7.628
_cell_angle_alpha 90
_cell_angle_beta 105.83
_cell_angle_gamma 90
_cell_volume 1132.302
_exptl_crystal_density_diffrn      2.866
_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_U_iso_or_equiv
Ca1   0.00560   0.00000   0.75420   0.03040
Ca2   0.18100   0.21120   0.09780   0.03040
Ca3   0.18060   0.21120   0.61480   0.03040
Ca4   0.12800   0.58670   0.05200   0.03040
Ca5   0.13250   0.58670   0.55610   0.03040
Si1   0.20710   0.91530   0.15020   0.03040
Si2   0.20520   0.91530   0.57920   0.03040
C1   0.02970   0.29920   0.34700   0.03040
C2   0.02050   0.29920   0.82200   0.03040
O1   0.07700   0.20930   0.28600   0.03040
O2   0.06810   0.20930   0.75800   0.03040
O3   0.07130   0.36250   0.47900   0.03040
O4   0.05800   0.36250   0.95800   0.03040
O5   0.06220   0.67420   0.77240   0.03040
O6   0.06710   0.67420   0.30940   0.03040
O7   0.22950   0.77320   0.07000   0.03040
O8   0.22550   0.77320   0.61880   0.03040
O9   0.10500   0.97080   0.05750   0.03040
O10   0.10000   0.97080   0.53900   0.03040
O11   0.21760   0.52630   0.88000   0.03040
O12   0.22820   0.52630   0.34440   0.03040
O13   0.22060   0.91530   0.36790   0.03040