# generated using pymatgen data_TaTi(FeP)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57667325 _cell_length_b 6.03975810 _cell_length_c 6.80094552 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTi(FeP)2 _chemical_formula_sum 'Ta2 Ti2 Fe4 P4' _cell_volume 146.91566566 _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 Ta Ta0 1 0.25000000 0.02035420 0.82326661 1.0 Ta Ta1 1 0.25000000 0.52035420 0.67673339 1.0 Ti Ti2 1 0.75000000 0.98260880 0.18218310 1.0 Ti Ti3 1 0.75000000 0.48260880 0.31781690 1.0 Fe Fe4 1 0.25000000 0.14389172 0.43737990 1.0 Fe Fe5 1 0.25000000 0.64389172 0.06262010 1.0 Fe Fe6 1 0.75000000 0.85445226 0.56145177 1.0 Fe Fe7 1 0.75000000 0.35445226 0.93854823 1.0 P P8 1 0.25000000 0.77665646 0.37675380 1.0 P P9 1 0.25000000 0.27665646 0.12324620 1.0 P P10 1 0.75000000 0.22203557 0.61288301 1.0 P P11 1 0.75000000 0.72203557 0.88711699 1.0