data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a         7.1080000000
_cell_length_b        11.0320000000
_cell_length_c         4.9470000000
_cell_angle_alpha        90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma        90.0000
_cell_volume           387.921261
_space_group_crystal_system orthorhombic
_space_group_IT_number 38
_space_group_name_H-M_alt 'Amm2'
_space_group_name_Hall 'A 2 -2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,-y,-z'
  'x,y,-z'
  'x,-y,z'
  '-1/2+x,-1/2+y,z'
  '-1/2+x,-1/2-y,-z'
  '-1/2+x,-1/2+y,-z'
  '-1/2+x,-1/2-y,z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca     Ca     0.00400000000000     0.21650000000000     0.50000000000000
Na     Na     0.07370000000000     0.00000000000000     0.00000000000000
Na     Na     0.38780000000000     0.00000000000000     0.50000000000000
C      C      0.83030000000000     0.29610000000000     0.00000000000000
O      O      0.92580000000000     0.19850000000000     0.00000000000000
O      O      0.78480000000000     0.34560000000000     0.22610000000000
C      C      0.77470000000000     0.00000000000000     0.50000000000000
O      O      0.95850000000000     0.00000000000000     0.50000000000000
O      O      0.68890000000000     0.10130000000000     0.50000000000000
