data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a         8.5180000000
_cell_length_b         8.5180000000
_cell_length_c         5.2110000000
_cell_angle_alpha        90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma        90.0000
_cell_volume           378.091004
_space_group_crystal_system tetragonal
_space_group_IT_number 100
_space_group_name_H-M_alt 'P4bm'
_space_group_name_Hall 'P 4 -2ab'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,x,z'
  '-x,-y,z'
  'y,-x,z'
  '-1/2-x,-1/2+y,z'
  '-1/2+y,-1/2+x,z'
  '-1/2+x,-1/2-y,z'
  '-1/2-y,-1/2-x,z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba     Ba     0.32720000000000     0.82720000000000     0.00000000000000
Ti     Ti     0.00000000000000     0.00000000000000     0.54140000000000
Si     Si     0.12820000000000     0.62820000000000     0.52070000000000
O      O      0.00000000000000     0.50000000000000     0.61830000000000
O      O      0.12360000000000     0.62360000000000     0.21250000000000
O      O      0.28960000000000     0.57620000000000     0.65840000000000
O      O      0.00000000000000     0.00000000000000     0.22780000000000
