# generated using pymatgen data_Zr2TiMoP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53725194 _cell_length_b 6.76811463 _cell_length_c 8.12086206 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2TiMoP2 _chemical_formula_sum 'Zr4 Ti2 Mo2 P4' _cell_volume 194.41771419 _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 0.03818213 0.33275493 1.0 Zr Zr1 1 0.25000000 0.53818213 0.16724507 1.0 Zr Zr2 1 0.75000000 0.96601892 0.67012536 1.0 Zr Zr3 1 0.75000000 0.46601892 0.82987464 1.0 Ti Ti4 1 0.25000000 0.13242011 0.94161026 1.0 Ti Ti5 1 0.25000000 0.63242011 0.55838974 1.0 Mo Mo6 1 0.75000000 0.86424226 0.06025257 1.0 Mo Mo7 1 0.75000000 0.36424226 0.43974743 1.0 P P8 1 0.25000000 0.26079824 0.64132493 1.0 P P9 1 0.25000000 0.76079824 0.85867507 1.0 P P10 1 0.75000000 0.73833834 0.36076559 1.0 P P11 1 0.75000000 0.23833834 0.13923441 1.0