# generated using pymatgen data_Zr2TiTcP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67914331 _cell_length_b 6.59304673 _cell_length_c 7.89277443 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2TiTcP2 _chemical_formula_sum 'Zr4 Ti2 Tc2 P4' _cell_volume 191.45316497 _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 0.75000000 0.53419035 0.32938232 1.0 Zr Zr1 1 0.25000000 0.96263623 0.83151839 1.0 Zr Zr2 1 0.75000000 0.03419035 0.17061768 1.0 Zr Zr3 1 0.25000000 0.46263623 0.66848161 1.0 Ti Ti4 1 0.25000000 0.37019734 0.05194040 1.0 Ti Ti5 1 0.25000000 0.87019734 0.44805960 1.0 Tc Tc6 1 0.75000000 0.13120677 0.55549622 1.0 Tc Tc7 1 0.75000000 0.63120677 0.94450378 1.0 P P8 1 0.25000000 0.74124231 0.13773418 1.0 P P9 1 0.25000000 0.24124231 0.36226582 1.0 P P10 1 0.75000000 0.26052601 0.85600410 1.0 P P11 1 0.75000000 0.76052601 0.64399590 1.0