# generated using pymatgen data_Zr6GaPO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.83894794 _cell_length_b 5.83894871 _cell_length_c 8.46858789 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 145.22678794 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6GaPO2 _chemical_formula_sum 'Zr6 Ga1 P1 O2' _cell_volume 164.66684490 _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 Zr Zr0 1 0.94605040 0.05394960 0.75000000 1.0 Zr Zr1 1 0.06747735 0.93252265 0.25000000 1.0 Zr Zr2 1 0.63431233 0.36568767 0.54881732 1.0 Zr Zr3 1 0.36005627 0.63994373 0.43636474 1.0 Zr Zr4 1 0.36005627 0.63994373 0.06363526 1.0 Zr Zr5 1 0.63431233 0.36568767 0.95118268 1.0 Ga Ga6 1 0.25558281 0.74441719 0.75000000 1.0 P P7 1 0.74441298 0.25558702 0.25000000 1.0 O O8 1 0.99886913 0.00113087 0.49739784 1.0 O O9 1 0.99886913 0.00113087 0.00260216 1.0