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# Crystallographic Information File for UCSB-6GaCo
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# Reference :
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# , , , ()
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# CIF downloaded from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher, L.B. McCusker and D.H. Brouwer
# Database of Zeolite Structures: https://www.iza-structure.org/databases/
#
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data_UCSB-6GaCo
_chemical_name_systematic 'UCSB-6GaCo'
_cell_length_a 17.8356
_cell_length_b 17.8356
_cell_length_c 27.1816
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'P -3 1 c'
_symmetry_space_group_name_H-M 'P -3 1 c'
_symmetry_space_group_name_Hall '-P 3 2c'
_space_group.IT_number 163
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
_atom_site_occupancy
Ga1 Ga -0.1059 0.2593 0.5978 3.1 1
Ga2 Ga -0.3132 -0.0696 0.5392 2.8 1
Co3 Co -0.3324 0.1607 0.6925 1.8 1
Co4 Co 0.1597 0.4754 0.4858 2.3 1
P1 P 0.0636 0.3015 0.549 2 1
P2 P -0.2758 0.0833 0.6104 2.4 1
P3 P 0.3445 0.4963 0.489 2.4 1
P4 P -0.1572 0.3339 0.6866 2.2 1
O1 O -0.1815 0.1465 0.6031 8.5 1
O2 O -0.0993 0.3059 0.6604 3.7 1
O3 O -0.3021 0.0832 0.6645 5.4 1
O4 O -0.444 0.1312 0.6708 3.9 1
O5 O 0.1005 0.3966 0.5389 3.5 1
O6 O 0.0043 0.2744 0.594 2.9 1
O7 O -0.2905 -0.0069 0.5983 3.8 1
O8 O 0.284 0.5324 0.4864 4.2 1
O9 O 0.3446 0.4533 0.44 3.4 1
O10 O -0.2789 -0.1458 0.5616 3.9 1
O11 O -0.3289 0.1432 0.7592 4.6 1
O12 O 0.1071 0.4363 0.4219 4 1
O13 O -0.2515 0.276 0.6719 4 1
O14 O 0.1302 0.5642 0.5001 3.5 1
O15 O 0.3173 0.4293 0.5305 4.3 1
O16 O -0.2357 0.0127 0.4954 4 1
N1 N -0.3333 0.3333 0.5967 4.3 1
N2 N 0.0266 0.5103 0.5912 4.4 1
C3 C 0.0863 0.5395 0.6361 10.9 1
C4 C 0.3333 0.6667 0.577 17.5 1
O17 O -0.1496 0.1913 0.5275 10.3 1
# End of data for UCSB-6GaCo