data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a         7.5700000000
_cell_length_b         8.9440000000
_cell_length_c         7.0445789080
_cell_angle_alpha        90.0000
_cell_angle_beta       125.6763
_cell_angle_gamma        90.0000
_cell_volume           387.447122
_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,-y,z'
  '-1/2+x,-1/2+y,-1/2+z'
  '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
As     As     0.25000000000000     0.42930000000000     0.00000000000000
Ca     Ca     0.75250000000000     0.58170000000000     0.51330000000000
Mg     Mg     0.24800000000000     0.74700000000000     0.74800000000000
O      O      0.06400000000000     0.31100000000000     0.98800000000000
O      O      0.36300000000000     0.96700000000000     0.73700000000000
O      O      0.13400000000000     0.53700000000000     0.75200000000000
O      O      0.42100000000000     0.31600000000000     0.99900000000000
F      F      0.73900000000000     0.33300000000000     0.49200000000000
