# generated using pymatgen data_Zr9Ti3P4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.54963600 _cell_length_b 3.99255400 _cell_length_c 22.87332100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr9Ti3P4 _chemical_formula_sum 'Zr9 Ti3 P4' _cell_volume 324.16329928 _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 0.00000000 0.00000000 0.01162700 1.0 Zr Zr1 1 0.50000000 0.00000000 0.82330800 1.0 Zr Zr2 1 0.00000000 0.00000000 0.64111600 1.0 Zr Zr3 1 0.50000000 0.00000000 0.46222300 1.0 Zr Zr4 1 0.00000000 0.00000000 0.33704700 1.0 Zr Zr5 1 0.50000000 0.00000000 0.19278800 1.0 Zr Zr6 1 0.50000000 0.50000000 0.33986600 1.0 Zr Zr7 1 0.00000000 0.50000000 0.22543000 1.0 Zr Zr8 1 0.50000000 0.50000000 0.09636700 1.0 Ti Ti9 1 0.00000000 0.50000000 0.90555900 1.0 Ti Ti10 1 0.50000000 0.50000000 0.72052100 1.0 Ti Ti11 1 0.00000000 0.50000000 0.53745300 1.0 P P12 1 0.50000000 0.50000000 0.98123200 1.0 P P13 1 0.00000000 0.50000000 0.79650400 1.0 P P14 1 0.50000000 0.50000000 0.61248700 1.0 P P15 1 0.00000000 0.50000000 0.42757200 1.0