data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a         3.8124000000
_cell_length_b         3.8807000000
_cell_length_c        11.6303000000
_cell_angle_alpha        90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma        90.0000
_cell_volume           172.067738
_space_group_crystal_system orthorhombic
_space_group_IT_number 47
_space_group_name_H-M_alt 'Pmmm'
_space_group_name_Hall '-P 2 2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,-z'
  '-x,-y,z'
  'x,y,-z'
  'x,-y,-z'
  '-x,y,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
Ba     Ba     0.50000000000000     0.50000000000000     0.18300000000000
Y      Y      0.50000000000000     0.50000000000000     0.50000000000000
Cu     Cu     0.00000000000000     0.00000000000000     0.00000000000000
Cu     Cu     0.00000000000000     0.00000000000000     0.35430000000000
O      O      0.00000000000000     0.00000000000000     0.15920000000000
O      O      0.50000000000000     0.00000000000000     0.37640000000000
O      O      0.00000000000000     0.50000000000000     0.37730000000000
O      O      0.00000000000000     0.50000000000000     0.00000000000000
