data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a         6.6430000000
_cell_length_b         6.6430000000
_cell_length_c         9.7660000000
_cell_angle_alpha        90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma       120.0000
_cell_volume           373.229409
_space_group_crystal_system hexagonal
_space_group_IT_number 188
_space_group_name_H-M_alt 'P-6c2'
_space_group_name_Hall 'P -6c 2'
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,-z'
  'x,x-y,-1/2+z'
  '-x+y,y,-z'
  '-y,-x,-1/2+z'
  'x,x-y,-z'
  '-x+y,y,-1/2+z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba     Ba     0.66666667000000     0.33333333000000     0.00000000000000
Ti     Ti     0.33333333000000     0.66666667000000     0.00000000000000
Si     Si     0.07050000000000     0.78170000000000     0.25000000000000
O      O      0.80900000000000     0.74500000000000     0.25000000000000
O      O      0.08620000000000     0.65780000000000     0.38770000000000
