# generated using pymatgen data_CsHf(NiAs)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95384364 _cell_length_b 9.08074070 _cell_length_c 7.09647366 _cell_angle_alpha 92.32344574 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsHf(NiAs)2 _chemical_formula_sum 'Cs2 Hf2 Ni4 As4' _cell_volume 254.58110959 _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 Cs Cs0 1 0.25000000 0.49885867 0.23630043 1.0 Cs Cs1 1 0.75000000 0.50114133 0.76369957 1.0 Hf Hf2 1 0.75000000 0.00852210 0.70557517 1.0 Hf Hf3 1 0.25000000 0.99147790 0.29442483 1.0 Ni Ni4 1 0.25000000 0.90785755 0.93227874 1.0 Ni Ni5 1 0.75000000 0.09214245 0.06772126 1.0 Ni Ni6 1 0.75000000 0.81663251 0.42055474 1.0 Ni Ni7 1 0.25000000 0.18336749 0.57944526 1.0 As As8 1 0.25000000 0.79992386 0.60005678 1.0 As As9 1 0.75000000 0.20007614 0.39994322 1.0 As As10 1 0.75000000 0.82296691 0.08969912 1.0 As As11 1 0.25000000 0.17703309 0.91030088 1.0