# generated using pymatgen data_Sc3Ti3As2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.89106329 _cell_length_b 6.89106384 _cell_length_c 3.82948007 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999736 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3Ti3As2P _chemical_formula_sum 'Sc3 Ti3 As2 P1' _cell_volume 157.48636883 _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 0.39593448 0.39593448 0.50000000 1.0 Sc Sc1 1 0.60406552 0.00000000 0.50000000 1.0 Sc Sc2 1 1.00000000 0.60406552 0.50000000 1.0 Ti Ti3 1 0.00000000 0.22987131 0.00000000 1.0 Ti Ti4 1 0.22987131 0.00000000 0.00000000 1.0 Ti Ti5 1 0.77012869 0.77012869 0.00000000 1.0 As As6 1 0.66666700 0.33333300 0.00000000 1.0 As As7 1 0.33333300 0.66666700 0.00000000 1.0 P P8 1 0.00000000 0.00000000 0.50000000 1.0