# generated using pymatgen data_Sc2Ti(TcP)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.71375766 _cell_length_b 6.71375812 _cell_length_c 3.34394889 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.73369403 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2Ti(TcP)3 _chemical_formula_sum 'Sc2 Ti1 Tc3 P3' _cell_volume 130.88226123 _cell_formula_units_Z 1 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 Sc Sc0 1 0.59589307 0.99851390 0.50000000 1.0 Sc Sc1 1 0.99851390 0.59589307 0.50000000 1.0 Ti Ti2 1 0.40265972 0.40265972 0.50000000 1.0 Tc Tc3 1 0.00631612 0.25365165 0.00000000 1.0 Tc Tc4 1 0.25365165 0.00631612 0.00000000 1.0 Tc Tc5 1 0.74651419 0.74651419 0.00000000 1.0 P P6 1 0.65983880 0.33485718 0.00000000 1.0 P P7 1 0.33485718 0.65983880 0.00000000 1.0 P P8 1 0.00175638 0.00175638 0.50000000 1.0