data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a        10.0127000000
_cell_length_b        16.7897000000
_cell_length_c         8.5400000000
_cell_angle_alpha        90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma        90.0000
_cell_volume          1435.661357
_space_group_crystal_system orthorhombic
_space_group_IT_number 45
_space_group_name_H-M_alt 'Iba2'
_space_group_name_Hall 'I 2 -2c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,y,-z'
  '-1/2+x,y,-1/2-z'
  '-1/2-x,y,-1/2+z'
  '-1/2+x,-1/2+y,-1/2+z'
  '-1/2-x,-1/2+y,-1/2-z'
  'x,-1/2+y,-z'
  '-x,-1/2+y,z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba     Ba     0.50000000000000     0.15450000000000     0.00000000000000
Na     Na     0.32580000000000     0.90460000000000     0.95790000000000
Al     Al     0.18620000000000     0.06350000000000     0.07060000000000
Al     Al     0.44530000000000     0.31110000000000     0.72070000000000
Si     Si     0.55960000000000     0.99750000000000     0.73480000000000
Si     Si     0.80620000000000     0.24620000000000     0.07890000000000
O      O      0.48460000000000     0.40760000000000     0.78590000000000
O      O      0.20770000000000     0.15820000000000     0.99440000000000
O      O      0.14480000000000     0.99490000000000     0.92480000000000
O      O      0.91300000000000     0.24920000000000     0.22230000000000
O      O      0.07140000000000     0.05480000000000     0.22580000000000
O      O      0.35380000000000     0.31120000000000     0.55010000000000
O      O      0.65530000000000     0.27220000000000     0.12880000000000
O      O      0.65220000000000     0.03170000000000     0.87819000000000
