data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a         5.5300000000
_cell_length_b         5.5300000000
_cell_length_c        11.0490000000
_cell_angle_alpha        90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma        90.0000
_cell_volume           337.888364
_space_group_crystal_system tetragonal
_space_group_IT_number 112
_space_group_name_H-M_alt 'P-42c'
_space_group_name_Hall 'P -4 2c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'y,-x,-z'
  '-x,-y,z'
  '-y,x,-z'
  '-x,y,-1/2-z'
  '-y,-x,-1/2+z'
  'x,-y,-1/2-z'
  'y,x,-1/2+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
Cu     Cu     0.00000000000000     0.00000000000000     0.25000000000000
Fe     Fe     0.00000000000000     0.50000000000000     0.00010000000000
Se     Se     0.24870000000000     0.25970000000000     0.12540000000000
