# generated using pymatgen data_KZr(NiAs)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97042346 _cell_length_b 8.38736285 _cell_length_c 7.09317067 _cell_angle_alpha 91.94962393 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZr(NiAs)2 _chemical_formula_sum 'K2 Zr2 Ni4 As4' _cell_volume 236.07565017 _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 K K0 1 0.25000000 0.49931185 0.23742897 1.0 K K1 1 0.75000000 0.50068815 0.76257103 1.0 Zr Zr2 1 0.75000000 0.00713620 0.70548284 1.0 Zr Zr3 1 0.25000000 0.99286380 0.29451716 1.0 Ni Ni4 1 0.25000000 0.89723392 0.93257894 1.0 Ni Ni5 1 0.75000000 0.10276608 0.06742106 1.0 Ni Ni6 1 0.75000000 0.79595584 0.42016634 1.0 Ni Ni7 1 0.25000000 0.20404416 0.57983366 1.0 As As8 1 0.25000000 0.78039509 0.59824786 1.0 As As9 1 0.75000000 0.21960491 0.40175214 1.0 As As10 1 0.75000000 0.80827781 0.08940236 1.0 As As11 1 0.25000000 0.19172219 0.91059764 1.0