data_global
_amcsd_formula_title 'Li Mo N2'
loop_
_publ_author_name
'Elder S'
'Doerrer L'
'DiSalvo F'
'Parise J'
'Guyomard D'
'Tarascon J'
_journal_name_full 'Chemistry of Materials'
_journal_volume 4 
_journal_year 1992
_journal_page_first 928
_journal_page_last 937
_publ_section_title
;
 LiMoN2: the first metallic layered nitride
 _cod_database_code 1005011
;
_database_code_amcsd 0012199
_chemical_formula_sum '(Mo.5 Li.5) N'
_cell_length_a 2.8674
_cell_length_b 2.8674
_cell_length_c 15.801
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 112.510
_exptl_crystal_density_diffrn      5.796
_symmetry_space_group_name_H-M 'R 3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mo1   0.00000   0.00000   0.00000   0.85000
Li1   0.00000   0.00000   0.00000   0.15000
Mo2   0.00000   0.00000   0.82900   0.15000
Li2   0.00000   0.00000   0.82900   0.85000
N1   0.00000   0.00000   0.25200   1.00000
N2   0.00000   0.00000   0.41410   1.00000