# generated using pymatgen data_HfSc2P3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.47387568 _cell_length_b 6.47387562 _cell_length_c 6.47387479 _cell_angle_alpha 146.49980227 _cell_angle_beta 131.90328126 _cell_angle_gamma 59.88355894 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSc2P3 _chemical_formula_sum 'Hf1 Sc2 P3' _cell_volume 110.44972121 _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 Hf Hf0 1 0.00000000 0.00000000 0.00000000 1.0 Sc Sc1 1 0.66753299 0.66753299 0.00000000 1.0 Sc Sc2 1 0.33246701 0.33246701 1.00000000 1.0 P P3 1 0.50000000 0.00000000 0.50000000 1.0 P P4 1 0.16417966 0.66417966 0.50000000 1.0 P P5 1 0.83582034 0.33582034 0.50000000 1.0