data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a         5.7610000000
_cell_length_b         5.7610000000
_cell_length_c        12.2010000000
_cell_angle_alpha        90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma       120.0000
_cell_volume           350.688730
_space_group_crystal_system hexagonal
_space_group_IT_number 182
_space_group_name_H-M_alt 'P6_322'
_space_group_name_Hall 'P 6c 2c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x-y,x,-1/2+z'
  '-y,x-y,z'
  '-x,-y,-1/2+z'
  '-x+y,-x,z'
  'y,-x+y,-1/2+z'
  '-y,-x,-1/2-z'
  '-x,-x+y,-z'
  '-x+y,y,-1/2-z'
  'y,x,-z'
  'x,x-y,-1/2-z'
  'x-y,-y,-z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe     Fe     0.33333333000000     0.66666667000000     0.25000000000000
Nb     Nb     0.00000000000000     0.00000000000000     0.00000000000000
Nb     Nb     0.33333333000000     0.66666667000000     0.99890000000000
S      S      0.33260000000000     0.00220000000000     0.37210000000000
