data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a         6.1700000000
_cell_length_b         6.1700000000
_cell_length_c         8.5640000000
_cell_angle_alpha        90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma        90.0000
_cell_volume           326.022060
_space_group_crystal_system tetragonal
_space_group_IT_number 95
_space_group_name_H-M_alt 'P4_322'
_space_group_name_Hall 'P 4cw 2c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,x,-1/4+z'
  '-x,-y,-1/2+z'
  'y,-x,-3/4+z'
  'x,-y,-1/2-z'
  '-y,-x,-1/4-z'
  '-x,y,-z'
  'y,x,-3/4-z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
O      O      0.27200000000000     0.01100000000000     0.00900000000000
O      O      0.29200000000000     0.52100000000000     0.01500000000000
Ti     Ti     0.50000000000000     0.24700000000000     0.00000000000000
Mn     Mn     0.00000000000000     0.24200000000000     0.00000000000000
Mn     Mn     0.24100000000000     0.24100000000000     0.62500000000000
