data_global
_chemical_name_mineral 'Isolueshite'
loop_
_publ_author_name
'Krivovichev S V'
'Chakhmouradian A R'
'Mitchell R H'
'Filatov S K'
'Chukanov N V'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 12 
_journal_year 2000
_journal_page_first 597
_journal_page_last 607
_publ_section_title
;
 Crystal structure of isolueshite and its synthetic compositional analogue
 Sample: synthetic (Na.75La.25)(Nb.5Ti.5)O3
;
_database_code_amcsd 0006837
_chemical_formula_sum '(Na.75 La.25) (Nb.5 Ti.5) O3'
_cell_length_a 7.7842
_cell_length_b 7.8033
_cell_length_c 7.7828
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 472.746
_exptl_crystal_density_diffrn      4.787
_symmetry_space_group_name_H-M 'C m c m'
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'
  '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
_atom_site_occupancy
_atom_site_U_iso_or_equiv
NaA1   0.00000   0.00200   0.25000   0.75000   0.01862
LaA1   0.00000   0.00200   0.25000   0.25000   0.01862
NaA2   0.00000   0.49900   0.25000   0.75000   0.01862
LaA2   0.00000   0.49900   0.25000   0.25000   0.01862
NbB   0.25000   0.25000   0.00000   0.50000   0.01798
TiB   0.25000   0.25000   0.00000   0.50000   0.01798
O1   0.21500   0.00000   0.00000   1.00000   0.03420
O2   0.00000   0.23200   0.00500   1.00000   0.02153
O3   0.29800   0.23700   0.25000   1.00000   0.00760