data_global
_chemical_name_mineral 'Aeschynite-(La)'
loop_
_publ_author_name
'Golobic A'
'Skapin S D'
'Suvorov D'
'Meden A'
_journal_name_full 'Croatia Chemica Acta'
_journal_volume 77 
_journal_year 2004
_journal_page_first 435
_journal_page_last 446
_publ_section_title
;
 Solving structural problems of ceramic materials
 Compound 2
;
_database_code_amcsd 0018960
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'La.924 (Nb1.228 Ti.772) O6'
_cell_length_a 10.96305
_cell_length_b 7.58996
_cell_length_c 5.46833
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 455.015
_exptl_crystal_density_diffrn      5.480
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-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_occupancy
_atom_site_U_iso_or_equiv
La   0.45841   0.75000   0.04006   0.92400   0.00174
Nb   0.64392   0.50523   0.46320   0.61400   0.00458
Ti   0.64392   0.50523   0.46320   0.38600   0.00458
O1   0.47580   0.46320   0.27120   1.00000   0.00165
O2   0.29040   0.94450  -0.13280   1.00000   0.00165
O3   0.35580   0.75000   0.45690   1.00000   0.00165
O4   0.62460   0.75000   0.35190   1.00000   0.00165