data_global
_chemical_name_mineral 'Lacroixite'
loop_
_publ_author_name
'Lahti S I'
'Pajunen A'
_journal_name_full 'American Mineralogist'
_journal_volume 70 
_journal_year 1985
_journal_page_first 849
_journal_page_last 855
_publ_section_title
;
 New data on lacroixite, NaAlFPO4
;
_database_code_amcsd 0000996
_chemical_formula_sum 'Na Al F P O4'
_cell_length_a 6.414
_cell_length_b 8.207
_cell_length_c 6.885
_cell_angle_alpha 90
_cell_angle_beta 115.47
_cell_angle_gamma 90
_cell_volume 327.201
_exptl_crystal_density_diffrn      3.328
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Na   0.00000   0.66850   0.25000
Al   0.00000   0.00000   0.00000
F   0.00000  -0.07080   0.25000
P   0.00000   0.31780   0.25000
O1   0.09390   0.20950   0.12180
O2   0.19150   0.43100   0.40320
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Na 0.01470 0.00830 0.02970 0.00000 0.00250 0.00000
Al 0.00370 0.00430 0.00350 0.00020 0.00070 -0.00040
F 0.00990 0.00550 0.00490 0.00000 0.00320 0.00000
P 0.00335 0.00420 0.00460 0.00000 0.00080 0.00000
O1 0.00600 0.00550 0.00720 -0.00080 0.00180 -0.00070
O2 0.00520 0.00770 0.00890 -0.00060 0.00170 -0.00110