data_global
_chemical_name_mineral 'Latrappite'
loop_
_publ_author_name
'Mitchell R H'
'Choi J B'
'Hawthorne F C'
'McCammon C A'
'Burns P C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 36 
_journal_year 1998
_journal_page_first 107
_journal_page_last 116
_publ_section_title
;
 Latrappite: A re-investigation
;
_database_code_amcsd 0005539
_chemical_compound_source 'Oka, Quebec, Canada'
_chemical_formula_sum '(Ca.75 Na.25) (Nb.57 Fe.15 Ti.28) O3'
_cell_length_a 5.4479
_cell_length_b 5.5259
_cell_length_c 7.7575
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 233.536
_exptl_crystal_density_diffrn      4.509
_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_occupancy
_atom_site_U_iso_or_equiv
Ca  -0.00760   0.03590   0.25000   0.75000   0.00773
Na  -0.00760   0.03590   0.25000   0.25000   0.00773
Nb   0.00000   0.50000   0.00000   0.57000   0.00507
Fe   0.00000   0.50000   0.00000   0.15000   0.00507
Ti   0.00000   0.50000   0.00000   0.28000   0.00507
O1   0.07640   0.48000   0.25000   1.00000   0.00671
O2   0.70870   0.28710   0.03640   1.00000   0.00633