# generated using pymatgen data_Zr2TaTiP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55261684 _cell_length_b 6.81341680 _cell_length_c 8.28692150 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2TaTiP2 _chemical_formula_sum 'Zr4 Ta2 Ti2 P4' _cell_volume 200.58874090 _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 Zr Zr0 1 0.25000000 0.03360358 0.66944496 1.0 Zr Zr1 1 0.25000000 0.53500457 0.83157285 1.0 Zr Zr2 1 0.75000000 0.46639642 0.16944496 1.0 Zr Zr3 1 0.75000000 0.96499543 0.33157285 1.0 Ta Ta4 1 0.75000000 0.36135051 0.55980726 1.0 Ta Ta5 1 0.25000000 0.13864949 0.05980726 1.0 Ti Ti6 1 0.75000000 0.86389420 0.94020271 1.0 Ti Ti7 1 0.25000000 0.63610580 0.44020271 1.0 P P8 1 0.25000000 0.26386287 0.35942589 1.0 P P9 1 0.25000000 0.76361290 0.13954733 1.0 P P10 1 0.75000000 0.73638710 0.63954733 1.0 P P11 1 0.75000000 0.23613713 0.85942589 1.0