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import pytest
from ase.io.cif import read_cif
cif = """data_Quartz
loop_
_publ_author_name
'Glinnemann J'
'King H E'
'Schulz H'
'Hahn T'
'La Placa S J'
'Dacol F'
_journal_name_full "Zeitschrift fur Kristallographie"
_journal_volume 198
_journal_year 1992
_journal_page_first 177
_journal_page_last 212
_publ_section_title
;Crystal structures of the low-temperature quartz-type phases of SiO2 and GeO2 at elevated pressure
P = 10.2GPa = 102 kbar
;
_chemical_formula_sum 'Si O2'
_cell_length_a 4.604
_cell_length_b 4.604
_cell_length_c 5.207
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 95.585
_symmetry_space_group_name_H-M 'P 31 2 1'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si 0.44580 0.00000 0.00000
O 0.39510 0.30310 -0.09210
"""
def test_pycodcif():
pytest.importorskip('pycodcif')
with open('myfile.cif', 'wb') as temp:
temp.write(cif.encode("latin-1"))
with open('myfile.cif') as temp:
cif_ase = read_cif(temp, 0, reader='ase')
cif_pycodcif = read_cif(temp, 0, reader='pycodcif')
assert [repr(x) for x in cif_ase] == [repr(x) for x in cif_pycodcif]
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