data_square
loop_
_publ_author_name
'Saulius Gra\<zulis'
_journal_issue                   5
_journal_name_full               'COD Tester's Journal'
_journal_page_first              123
_journal_page_last               125
_journal_volume                  12
_journal_year                    2010
_symmetry_space_group_name_H-M   'P 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 100
_cell_angle_gamma                90
_cell_length_a                   5.00
_cell_length_b                   6.00
_cell_length_c                   7.00
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 0.0000 0.0000 0.0000
C2 0.3000 0.0000 0.0000
C3 0.0529 0.0000 0.2176
C4 0.3529 0.0000 0.2176
