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 1000069
;
_database_code_amcsd 0014337
_chemical_formula_sum 'Li Nb W O6'
_cell_length_a 4.6818
_cell_length_b 4.6818
_cell_length_c 9.2754
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 203.310
_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
Li   0.00000   0.50000   0.41800
Nb   0.00000   0.50000   0.08700
W   0.00000   0.50000   0.72600
O1   0.29100   0.79100   0.77120
O2   0.30320   0.80320   0.08090
O3   0.29930   0.79930   0.39390