data_global
_chemical_name_mineral 'Thomsenolite'
loop_
_publ_author_name
'Cocco G'
'Castiglione P C'
'Vagliasindi G'
_journal_name_full 'Acta Crystallographica'
_journal_volume 23 
_journal_year 1967
_journal_page_first 162
_journal_page_last 166
_publ_section_title
;
 The crystal structure of thomsenolite
;
_database_code_amcsd 0009312
_chemical_compound_source 'Ivigtut, Greenland'
_chemical_formula_sum 'Na Ca Al F6 (O H2)'
_cell_length_a 5.583
_cell_length_b 5.508
_cell_length_c 16.127
_cell_angle_alpha 90
_cell_angle_beta 96.43
_cell_angle_gamma 90
_cell_volume 492.804
_exptl_crystal_density_diffrn      2.993
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-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
Na   0.25420   0.14550   0.24870   0.03572
Ca   0.18920   0.67450   0.09920   0.02343
Al   0.71740   0.17950   0.13900   0.02280
F1   0.55110   0.46340   0.12710   0.03230
F2   0.98870   0.36490   0.15620   0.03293
F3   0.44060   0.01260   0.12810   0.03331
F4   0.90370   0.91730   0.15750   0.03280
F5   0.31280   0.69830   0.25050   0.03027
F6   0.73620   0.16720   0.03010   0.03154
Wat   0.80190   0.65850   0.00650   0.02736