# generated using pymatgen data_Ga2CuO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.03773633 _cell_length_b 6.03773633 _cell_length_c 6.03773633 _cell_angle_alpha 123.43040421 _cell_angle_beta 121.79098109 _cell_angle_gamma 85.54100065 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2CuO4 _chemical_formula_sum 'Ga4 Cu2 O8' _cell_volume 148.95940225 _cell_formula_units_Z 2 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 Ga Ga0 1 0.61089500 0.86089500 0.75000000 1.0 Ga Ga1 1 0.38910500 0.13910500 0.25000000 1.0 Ga Ga2 1 0.00000000 0.50000000 0.50000000 1.0 Ga Ga3 1 0.50000000 0.50000000 0.00000000 1.0 Cu Cu4 1 0.00000000 0.50000000 0.00000000 1.0 Cu Cu5 1 0.00000000 0.00000000 0.50000000 1.0 O O6 1 0.26169400 0.74695000 0.98525600 1.0 O O7 1 0.77948300 0.26644100 0.51304200 1.0 O O8 1 0.26169400 0.27643700 0.51474400 1.0 O O9 1 0.25339800 0.26644100 0.98695800 1.0 O O10 1 0.74660200 0.73355900 0.01304200 1.0 O O11 1 0.73830600 0.72356300 0.48525600 1.0 O O12 1 0.22051700 0.73355900 0.48695800 1.0 O O13 1 0.73830600 0.25305000 0.01474400 1.0