scripts/cif_hkl_COD_number: tests/cases/cif_hkl_COD_number_004.inp data_100K: WARNING, tag '_shelx_title' is not recognised.
scripts/cif_hkl_COD_number: tests/cases/cif_hkl_COD_number_004.inp data_100K: WARNING, tag '_shelx_refln_list_code' is not recognised.
scripts/cif_hkl_COD_number: tests/cases/cif_hkl_COD_number_004.inp data_100K: WARNING, tag '_shelx_f_calc_maximum' is not recognised.
scripts/cif_hkl_COD_number: tests/cases/cif_hkl_COD_number_004.inp data_100K: WARNING, tag '_shelx_f_squared_multiplier' is not recognised.
data_hkl_7000001
_cell_angle_alpha                90.000
_cell_angle_beta                 100.122
_cell_angle_gamma                90.000
_cell_length_a                   12.1405
_cell_length_b                   12.4273
_cell_length_c                   6.3851
_exptl_crystal_F_000             456.00
_reflns_d_resolution_high        0.7108
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' po3 in P2(1)/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            140.29
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
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'
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
