# generated using pymatgen data_Ti3Tc3As2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38806842 _cell_length_b 6.67522636 _cell_length_c 6.67522664 _cell_angle_alpha 60.00391474 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3Tc3As2P _chemical_formula_sum 'Ti3 Tc3 As2 P1' _cell_volume 130.74706483 _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 Ti Ti0 1 0.50000000 0.60164340 0.39835660 1.0 Ti Ti1 1 0.50000000 0.39817005 0.99989394 1.0 Ti Ti2 1 0.50000000 0.00010606 0.60182995 1.0 Tc Tc3 1 0.00000000 0.24554278 0.75445722 1.0 Tc Tc4 1 0.00000000 0.75442419 0.99998105 1.0 Tc Tc5 1 0.00000000 0.00001895 0.24557581 1.0 As As6 1 0.00000000 0.33343241 0.33333871 1.0 As As7 1 0.00000000 0.66666129 0.66656759 1.0 P P8 1 0.50000000 0.99990089 0.00009911 1.0