# generated using pymatgen data_Zr6P2O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.68911764 _cell_length_b 5.68911764 _cell_length_c 8.37801783 _cell_angle_alpha 88.13742065 _cell_angle_beta 88.13742065 _cell_angle_gamma 36.16943298 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6P2O _chemical_formula_sum 'Zr6 P2 O1' _cell_volume 159.94032169 _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 0.86222017 0.86222017 0.54896099 1.0 Zr Zr1 1 0.13777983 0.13777983 0.45103901 1.0 Zr Zr2 1 0.85959308 0.85959308 0.94123846 1.0 Zr Zr3 1 0.14040692 0.14040692 0.05876154 1.0 Zr Zr4 1 0.56283267 0.56283267 0.75425363 1.0 Zr Zr5 1 0.43716733 0.43716733 0.24574637 1.0 P P6 1 0.25280059 0.25280059 0.75029754 1.0 P P7 1 0.74719941 0.74719941 0.24970246 1.0 O O8 1 0.50000000 0.50000000 0.50000000 1.0