data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a        11.4000000000
_cell_length_b         9.8100000000
_cell_length_c         6.1300000000
_cell_angle_alpha        90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma        90.0000
_cell_volume           685.542420
_space_group_crystal_system orthorhombic
_space_group_IT_number 51
_space_group_name_H-M_alt 'Pmma'
_space_group_name_Hall '-P 2a 2a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,-z'
  'x,-y,-1/2-z'
  '-x,y,-1/2+z'
  '-x,-y,-1/2+z'
  'x,y,-1/2-z'
  '-x,y,-z'
  'x,-y,z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
S      S      0.90000000000000     0.25000000000000     0.25000000000000
S      S      0.10000000000000     0.50000000000000     0.25000000000000
S      S      0.10000000000000     0.00000000000000     0.25000000000000
S      S      0.41670000000000     0.16670000000000     0.25000000000000
S      S      0.58330000000000     0.50000000000000     0.25000000000000
Fe     Fe     0.77780000000000     0.37500000000000     0.06250000000000
Cu     Cu     0.75000000000000     0.00000000000000     0.02780000000000
