# generated using pymatgen data_TiFe2TcP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62081531 _cell_length_b 5.86397352 _cell_length_c 6.62872708 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiFe2TcP2 _chemical_formula_sum 'Ti2 Fe4 Tc2 P4' _cell_volume 140.74355337 _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 Ti Ti0 1 0.75000000 0.97796600 0.17781128 1.0 Ti Ti1 1 0.75000000 0.47796600 0.32218872 1.0 Fe Fe2 1 0.25000000 0.14312914 0.43816531 1.0 Fe Fe3 1 0.25000000 0.64312914 0.06183469 1.0 Fe Fe4 1 0.75000000 0.85678565 0.56159209 1.0 Fe Fe5 1 0.75000000 0.35678565 0.93840791 1.0 Tc Tc6 1 0.25000000 0.02773994 0.82543202 1.0 Tc Tc7 1 0.25000000 0.52773994 0.67456798 1.0 P P8 1 0.25000000 0.77119369 0.38394614 1.0 P P9 1 0.25000000 0.27119369 0.11605386 1.0 P P10 1 0.75000000 0.22318558 0.62736012 1.0 P P11 1 0.75000000 0.72318558 0.87263988 1.0