data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a         5.5526000000
_cell_length_b         5.5526000000
_cell_length_c         6.0727100000
_cell_angle_alpha        90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma        90.0000
_cell_volume           187.229949
_space_group_crystal_system tetragonal
_space_group_IT_number 118
_space_group_name_H-M_alt 'P-4n2'
_space_group_name_Hall 'P -4 -2n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'y,-x,-z'
  '-x,-y,z'
  '-y,x,-z'
  '-1/2+x,-1/2-y,-1/2+z'
  '-1/2+y,-1/2+x,-1/2-z'
  '-1/2-x,-1/2+y,-1/2+z'
  '-1/2-y,-1/2-x,-1/2-z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mn     Mn     0.00000000000000     0.00000000000000     0.50000000000000
B      B      0.25200000000000     0.24800000000000     0.25000000000000
H      H      0.22200000000000     0.03800000000000     0.21200000000000
H      H      0.36000000000000     0.82500000000000     0.91406000000000
