# generated using pymatgen data_Hf3AsC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38297233 _cell_length_b 3.38297295 _cell_length_c 17.67646837 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000361 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3AsC2 _chemical_formula_sum 'Hf6 As2 C4' _cell_volume 175.19555637 _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 Hf Hf0 1 0.00000000 0.00000000 0.50000000 1.0 Hf Hf1 1 0.00000000 0.00000000 0.00000000 1.0 Hf Hf2 1 0.66666700 0.33333300 0.35707628 1.0 Hf Hf3 1 0.33333300 0.66666700 0.64292372 1.0 Hf Hf4 1 0.33333300 0.66666700 0.85707628 1.0 Hf Hf5 1 0.66666700 0.33333300 0.14292372 1.0 As As6 1 0.00000000 0.00000000 0.25000000 1.0 As As7 1 0.00000000 0.00000000 0.75000000 1.0 C C8 1 0.66666700 0.33333300 0.92290030 1.0 C C9 1 0.33333300 0.66666700 0.07709970 1.0 C C10 1 0.33333300 0.66666700 0.42290030 1.0 C C11 1 0.66666700 0.33333300 0.57709970 1.0