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rhomb_3478.cif
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rhomb_3478.cif
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# generated using pymatgen
data_AlCuO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.93526274
_cell_length_b 5.93526274
_cell_length_c 5.93526274
_cell_angle_alpha 28.04918610
_cell_angle_beta 28.04918609
_cell_angle_gamma 28.04918611
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlCuO2
_chemical_formula_sum 'Al1 Cu1 O2'
_cell_volume 40.8365142338
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
O O1 1 0.890001 0.890001 0.890001 1
O O2 1 0.109999 0.109999 0.109999 1
Al Al3 1 0.500000 0.500000 0.500000 1
Cu Cu4 1 0.000000 0.000000 0.000000 1