data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a         7.0445789080
_cell_length_b         6.6880000000
_cell_length_c         8.9440000000
_cell_angle_alpha        90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma       113.1537
_cell_volume           387.447449
_space_group_crystal_system monoclinic
_space_group_IT_number 9
_space_group_name_H-M_alt 'Cc'
_space_group_name_Hall 'C -2yc'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-1/2+x,-1/2+y,-z'
  'x,-1/2+y,-1/2+z'
  '-1/2+x,y,-1/2-z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
As     As     0.75000000000000     0.75000000000000     0.57070000000000
Ca     Ca     0.76080000000000     0.24750000000000     0.41830000000000
Mg     Mg     0.50000000000000     0.75200000000000     0.25300000000000
O      O      0.92400000000000     0.93600000000000     0.68900000000000
O      O      0.37400000000000     0.63700000000000     0.03300000000000
O      O      0.61800000000000     0.86600000000000     0.46300000000000
O      O      0.57800000000000     0.57900000000000     0.68400000000000
F      F      0.75300000000000     0.26100000000000     0.66700000000000
