# generated using pymatgen data_Zr6AlPO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88575898 _cell_length_b 5.88576068 _cell_length_c 8.57280924 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 146.03223139 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6AlPO2 _chemical_formula_sum 'Zr6 Al1 P1 O2' _cell_volume 165.93097324 _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 0.64071147 0.35928853 0.43670620 1.0 Zr Zr1 1 0.36567299 0.63432701 0.54568459 1.0 Zr Zr2 1 0.64071147 0.35928853 0.06329380 1.0 Zr Zr3 1 0.36567299 0.63432701 0.95431541 1.0 Zr Zr4 1 0.93439553 0.06560447 0.25000000 1.0 Zr Zr5 1 0.04846612 0.95153388 0.75000000 1.0 Al Al6 1 0.74420658 0.25579342 0.75000000 1.0 P P7 1 0.25695396 0.74304604 0.25000000 1.0 O O8 1 0.00160494 0.99839506 0.49462457 1.0 O O9 1 0.00160494 0.99839506 0.00537543 1.0