data_global
_chemical_name_mineral 'Fluocerite-(La)'
loop_
_publ_author_name
'Mansmann M'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 122 
_journal_year 1965
_journal_page_first 375
_journal_page_last 398
_publ_section_title
;
 Die kristallstruktur von lanthantrifluorid
;
_database_code_amcsd 0010627
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'La F3'
_cell_length_a 7.190
_cell_length_b 7.190
_cell_length_c 7.367
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 329.822
_exptl_crystal_density_diffrn      5.918
_symmetry_space_group_name_H-M 'P -3 c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,1/2+z'
  'y,-x+y,-z'
  '-x,-x+y,1/2-z'
  '-x+y,-x,z'
  '-x+y,y,1/2+z'
  '-x,-y,-z'
  'y,x,1/2-z'
  '-y,x-y,z'
  'x,x-y,1/2+z'
  'x-y,x,-z'
  'x-y,-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
La   0.65870   0.00000   0.25000
F1   0.37580   0.06230   0.08130
F2   0.33333   0.66667   0.18250
F3   0.00000   0.00000   0.25000
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
La 0.00412 0.00412 0.00412 0.00177 0.00037 -0.00037
F1 0.02121 0.01198 0.00082 0.01159 -0.00046 0.00139
F2 0.00012 0.00012 0.01045 0.00006 0.00000 0.00000
F3 0.00008 0.00008 0.02585 0.00004 0.00000 0.00000