data_global
_chemical_name_mineral 'Gotzenite'
loop_
_publ_author_name
'Cannillo E'
'Mazzi F'
'Rossi G'
_journal_name_full 'Soviet Physics Crystallography'
_journal_volume 16 
_journal_year 1972
_journal_page_first 1026
_journal_page_last 1030
_publ_section_title
;
 Crystal structure of gotzenite
;
_database_code_amcsd 0015555
_chemical_compound_source 'Mount Shaheru, Republic of Congo'
_chemical_formula_sum 'Ca6 Na Ti Si4 O18'
_cell_length_a 9.667
_cell_length_b 5.731
_cell_length_c 7.334
_cell_angle_alpha 90
_cell_angle_beta 101.05
_cell_angle_gamma 101.31
_cell_volume 390.740
_exptl_crystal_density_diffrn      3.024
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,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   0.63890   0.21150   0.90970   0.00089
Ca2   0.98590   0.49550   0.24180   0.00722
Ca3   0.63050   0.22680   0.40750   0.00215
Na   0.00000   0.00000   0.50000   0.01532
Ti   0.00000   0.00000   0.00000   0.01178
Si1   0.71970   0.74750   0.64600   0.00937
Si2   0.72100   0.74710   0.21000   0.00342
O1   0.76200   0.78400   0.44300   0.02951
O2   0.61900   0.92700   0.67300   0.00025
O3   0.61400   0.92500   0.12700   0.01836
O4   0.63600   0.47200   0.66500   0.02647
O5   0.67500   0.46500   0.16200   0.01381
O6   0.87900   0.81900   0.77800   0.02178
O7   0.88100   0.83000   0.17100   0.01862
O8   0.88400   0.25600   0.96900   0.00355
O9   0.89000   0.31300   0.47500   0.00671