data_global
_amcsd_formula_title 'Ca3 N3 V'
loop_
_publ_author_name
'Vennos D'
'DiSalvo F'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 100 
_journal_year 1992
_journal_page_first 401
_journal_page_last 401
_publ_section_title
;
 Synthesis and characterization of a new ternary nitride, Ca3VN3
 _cod_database_code 1005013
;
_database_code_amcsd 0013752
_chemical_formula_sum 'V N3 Ca3'
_cell_length_a 8.544
_cell_length_b 10.38
_cell_length_c 5.064
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 449.110
_exptl_crystal_density_diffrn      3.153
_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
V1   0.00000   0.30280   0.25000
N1   0.00000   0.12700   0.25000
N2   0.80790   0.37470   0.25000
Ca1   0.00000   0.10850   0.75000
Ca2   0.21390   0.38410   0.75000