# generated using pymatgen data_Zr4TiNb3As4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.63800299 _cell_length_b 7.02752578 _cell_length_c 8.54031193 _cell_angle_alpha 90.19145119 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4TiNb3As4 _chemical_formula_sum 'Zr4 Ti1 Nb3 As4' _cell_volume 218.34176066 _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 0.04236377 0.66768102 1.0 Zr Zr1 1 0.25000000 0.54073289 0.83274790 1.0 Zr Zr2 1 0.75000000 0.45715202 0.16644987 1.0 Zr Zr3 1 0.75000000 0.95581005 0.33206125 1.0 Ti Ti4 1 0.75000000 0.86825793 0.94039199 1.0 Nb Nb5 1 0.25000000 0.63636011 0.44031760 1.0 Nb Nb6 1 0.75000000 0.36564985 0.56056654 1.0 Nb Nb7 1 0.25000000 0.13475702 0.05986491 1.0 As As8 1 0.25000000 0.25408120 0.35843722 1.0 As As9 1 0.25000000 0.75585047 0.13560578 1.0 As As10 1 0.75000000 0.74657716 0.64667023 1.0 As As11 1 0.75000000 0.24240755 0.85920668 1.0