# generated using pymatgen data_Zr5Nb3As4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65820807 _cell_length_b 7.09666059 _cell_length_c 8.66743477 _cell_angle_alpha 89.87237697 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr5Nb3As4 _chemical_formula_sum 'Zr5 Nb3 As4' _cell_volume 225.01524488 _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 0.25000000 0.13478013 0.06025818 1.0 Zr Zr1 1 0.25000000 0.54308327 0.83218340 1.0 Zr Zr2 1 0.75000000 0.95682658 0.33542113 1.0 Zr Zr3 1 0.25000000 0.04157229 0.66451226 1.0 Zr Zr4 1 0.75000000 0.46491046 0.17292520 1.0 Nb Nb5 1 0.75000000 0.85637276 0.93776019 1.0 Nb Nb6 1 0.25000000 0.63653835 0.44097739 1.0 Nb Nb7 1 0.75000000 0.36716783 0.55948729 1.0 As As8 1 0.75000000 0.74531648 0.64113715 1.0 As As9 1 0.25000000 0.75429793 0.14226155 1.0 As As10 1 0.75000000 0.24302722 0.85157333 1.0 As As11 1 0.25000000 0.25610671 0.36150695 1.0