# generated using pymatgen data_TbHf(NiAs)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95933435 _cell_length_b 3.95933487 _cell_length_c 14.87126472 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001185 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbHf(NiAs)2 _chemical_formula_sum 'Tb2 Hf2 Ni4 As4' _cell_volume 201.89376032 _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 Tb Tb0 1 0.00000000 0.00000000 0.00000000 1.0 Tb Tb1 1 0.00000000 0.00000000 0.50000000 1.0 Hf Hf2 1 0.00000000 0.00000000 0.25000000 1.0 Hf Hf3 1 0.00000000 0.00000000 0.75000000 1.0 Ni Ni4 1 0.33333300 0.66666700 0.15842746 1.0 Ni Ni5 1 0.66666700 0.33333300 0.84157254 1.0 Ni Ni6 1 0.66666700 0.33333300 0.65842746 1.0 Ni Ni7 1 0.33333300 0.66666700 0.34157254 1.0 As As8 1 0.33333300 0.66666700 0.62333957 1.0 As As9 1 0.66666700 0.33333300 0.37666043 1.0 As As10 1 0.66666700 0.33333300 0.12333957 1.0 As As11 1 0.33333300 0.66666700 0.87666043 1.0