# generated using pymatgen data_Zr4Ni3As8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.80626305 _cell_length_b 3.80626305 _cell_length_c 17.64974711 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4Ni3As8 _chemical_formula_sum 'Zr4 Ni3 As8' _cell_volume 255.70315408 _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 Zr Zr0 1 0.50000000 0.00000000 0.12312276 1.0 Zr Zr1 1 0.50000000 -0.00000000 0.63367709 1.0 Zr Zr2 1 0.00000000 0.50000000 0.87687724 1.0 Zr Zr3 1 -0.00000000 0.50000000 0.36632291 1.0 Ni Ni4 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni5 1 -0.00000000 0.00000000 -0.00000000 1.0 Ni Ni6 1 0.00000000 -0.00000000 0.50000000 1.0 As As7 1 0.50000000 -0.00000000 0.92977993 1.0 As As8 1 0.50000000 0.00000000 0.41973496 1.0 As As9 1 0.00000000 0.50000000 0.07022007 1.0 As As10 1 0.00000000 0.50000000 0.58026504 1.0 As As11 1 0.50000000 0.50000000 0.75540263 1.0 As As12 1 0.50000000 0.50000000 0.24459737 1.0 As As13 1 0.00000000 -0.00000000 0.75544331 1.0 As As14 1 -0.00000000 0.00000000 0.24455669 1.0