data_global
_amcsd_formula_title 'LiNbWO6'
loop_
_publ_author_name
'Fourquet J'
'Le Bail A'
'Gillet P'
_journal_name_full 'Materials Research Bulletin'
_journal_volume 23 
_journal_year 1988
_journal_page_first 1163
_journal_page_last 1170
_publ_section_title
;
 LiNbWO6: Crystal structure of its two allotropic forms
 _cod_database_code 1000068
;
_database_code_amcsd 0014338
_chemical_formula_sum 'Li (Nb W) O6'
_cell_length_a 4.6819
_cell_length_b 4.6819
_cell_length_c 9.2757
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 203.325
_exptl_crystal_density_diffrn      6.202
_symmetry_space_group_name_H-M 'P -4 21 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-y,1/2-x,z'
  'y,-x,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,z'
  '1/2+y,1/2+x,z'
  '-y,x,-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
Li   0.00000   0.50000   0.42000   1.00000
Nb1   0.00000   0.50000   0.09010   0.89200
W1   0.00000   0.50000   0.09010   0.10800
W2   0.00000   0.50000   0.73050   0.89200
Nb2   0.00000   0.50000   0.73050   0.10800
O1   0.29300   0.79300   0.76900   1.00000
O2   0.29800   0.79800   0.08900   1.00000
O3   0.30200   0.80200   0.38100   1.00000