#
# h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag
#
data_100K
_shelx_title ' po3 in P2(1)/c'
_shelx_refln_list_code          4
_shelx_F_calc_maximum      140.29
_exptl_crystal_F_000       456.00
_reflns_d_resolution_high  0.7108
 
loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y-1/2, z-1/2'
 
_cell_length_a    12.1405
_cell_length_b    12.4273
_cell_length_c     6.3851
_cell_angle_alpha  90.000
_cell_angle_beta  100.122
_cell_angle_gamma  90.000
 
_shelx_F_squared_multiplier     1.000
 
loop_
 _refln_index_h
 _refln_index_k
 _refln_index_l
 _refln_F_squared_calc
 _refln_F_squared_meas
 _refln_F_squared_sigma
 _refln_observed_status
   2   0   0       47.04       10.91      0.50 o
   3   0   0      189.94      203.48      1.68 o
   4   0   0       21.74       30.05      0.67 o
   5   0   0      685.67      887.96      6.55 o
   6   0   0     3649.08     4290.06     29.88 o
   7   0   0      635.64      653.93      5.54 o
   8   0   0      185.28      159.33      2.35 o
   9   0   0      575.43      538.25      6.88 o
  10   0   0     2745.32     2859.82     26.53 o

#
# The rest of the structure factors was truncated for brevity, since
# this file is only to be used in the cif-tools test cases.
#
