# generated using pymatgen data_LiHf(NiAs)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85283814 _cell_length_b 6.32072948 _cell_length_c 7.09972902 _cell_angle_alpha 88.68336168 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiHf(NiAs)2 _chemical_formula_sum 'Li2 Hf2 Ni4 As4' _cell_volume 172.85226028 _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 Li Li0 1 0.25000000 0.48268569 0.18166243 1.0 Li Li1 1 0.75000000 0.51731431 0.81833757 1.0 Hf Hf2 1 0.75000000 0.02029135 0.69187680 1.0 Hf Hf3 1 0.25000000 0.97970865 0.30812320 1.0 Ni Ni4 1 0.25000000 0.84858864 0.93519208 1.0 Ni Ni5 1 0.75000000 0.15141136 0.06480792 1.0 Ni Ni6 1 0.75000000 0.65576601 0.43570195 1.0 Ni Ni7 1 0.25000000 0.34423399 0.56429805 1.0 As As8 1 0.25000000 0.72360665 0.62104192 1.0 As As9 1 0.75000000 0.27639335 0.37895808 1.0 As As10 1 0.75000000 0.76767527 0.11175890 1.0 As As11 1 0.25000000 0.23232473 0.88824110 1.0