data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a         5.2040000000
_cell_length_b        14.9260000000
_cell_length_c         5.7520000000
_cell_angle_alpha        90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma        90.0000
_cell_volume           446.786048
_space_group_crystal_system orthorhombic
_space_group_IT_number 60
_space_group_name_H-M_alt 'Pbcn'
_space_group_name_Hall '-P 2n 2ab'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,-z'
  '-1/2+x,-1/2-y,-1/2-z'
  '-1/2-x,-1/2+y,-1/2+z'
  '-x,-1/2+y,-1/2-z'
  'x,-1/2-y,-1/2+z'
  '-1/2-x,-y,z'
  '-1/2+x,y,-z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca     Ca     0.75000000000000     0.00000000000000     0.22440000000000
Nb     Nb     0.29870000000000     0.16530000000000     0.31660000000000
O      O      0.40400000000000     0.08930000000000     0.09970000000000
O      O      0.00560000000000     0.10030000000000     0.42800000000000
O      O      0.12660000000000     0.25760000000000     0.13510000000000
