data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a         7.5700000000
_cell_length_b         6.6880000000
_cell_length_c         8.9440000000
_cell_angle_alpha        90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma       121.1700
_cell_volume           387.447327
_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'
  '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
As     As     0.25000000000000     0.00000000000000     0.42930000000000
Ca     Ca     0.23920000000000     0.48670000000000     0.58170000000000
Mg     Mg     0.50000000000000     0.25200000000000     0.74700000000000
O      O      0.07600000000000     0.01200000000000     0.31100000000000
O      O      0.62600000000000     0.26300000000000     0.96700000000000
O      O      0.38200000000000     0.24800000000000     0.53700000000000
O      O      0.42200000000000     0.00100000000000     0.31600000000000
F      F      0.24700000000000     0.50800000000000     0.33300000000000
