data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a         4.5026000000
_cell_length_b         8.4905000000
_cell_length_c         6.3905000000
_cell_angle_alpha        90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma        90.0000
_cell_volume           244.304503
_space_group_crystal_system orthorhombic
_space_group_IT_number 40
_space_group_name_H-M_alt 'Ama2'
_space_group_name_Hall 'A 2 -2a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,-y,-z'
  'x,-1/2-y,z'
  'x,-1/2+y,-z'
  '-1/2+x,y,-1/2+z'
  '-1/2+x,-y,-1/2-z'
  '-1/2+x,-1/2-y,-1/2+z'
  '-1/2+x,-1/2+y,-1/2-z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca     Ca     0.50868000000000     0.50000000000000     0.00000000000000
C      C      0.94400000000000     0.25000000000000     0.14432000000000
O      O      0.07718000000000     0.38423000000000     0.16589000000000
O      O      0.66336000000000     0.25000000000000     0.10559000000000
