data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a         5.2900000000
_cell_length_b         5.2900000000
_cell_length_c        10.4217000000
_cell_angle_alpha        90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma        90.0000
_cell_volume           291.641895
_space_group_crystal_system tetragonal
_space_group_IT_number 122
_space_group_name_H-M_alt 'I-42d'
_space_group_name_Hall 'I -4 2bw'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'y,-x,-z'
  '-x,-y,z'
  '-y,x,-z'
  '-x,-1/2+y,-3/4-z'
  '-y,-1/2-x,-3/4+z'
  'x,-1/2-y,-3/4-z'
  'y,-1/2+x,-3/4+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'
  '-1/2-x,y,-1/4-z'
  '-1/2-y,-x,-1/4+z'
  '-1/2+x,-y,-1/4-z'
  '-1/2+y,x,-1/4+z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu     Cu     0.00000000000000     0.00000000000000     0.00000000000000
Fe     Fe     0.00000000000000     0.00000000000000     0.50000000000000
S      S      0.26040000000000     0.25000000000000     0.12500000000000
