# generated using pymatgen data_SrHf3(NiAs2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97996253 _cell_length_b 3.97996261 _cell_length_c 13.75923054 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999934 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrHf3(NiAs2)2 _chemical_formula_sum 'Sr1 Hf3 Ni2 As4' _cell_volume 188.74817320 _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 Sr Sr0 1 0.33333300 0.66666700 0.85353355 1.0 Hf Hf1 1 0.66666700 0.33333300 0.59879815 1.0 Hf Hf2 1 0.33333300 0.66666700 0.13585111 1.0 Hf Hf3 1 0.66666700 0.33333300 0.35017278 1.0 Ni Ni4 1 0.00000000 0.00000000 0.05400887 1.0 Ni Ni5 1 0.00000000 0.00000000 0.44863710 1.0 As As6 1 0.66666700 0.33333300 0.00479726 1.0 As As7 1 0.33333300 0.66666700 0.47907257 1.0 As As8 1 0.00000000 0.00000000 0.70305389 1.0 As As9 1 0.00000000 0.00000000 0.24073571 1.0