# generated using pymatgen data_Zr4AlV4As3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55594632 _cell_length_b 6.87989864 _cell_length_c 8.23209801 _cell_angle_alpha 89.75335247 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4AlV4As3 _chemical_formula_sum 'Zr4 Al1 V4 As3' _cell_volume 201.39270949 _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 0.04762918 0.83138953 1.0 Zr Zr1 1 0.25000000 0.54840677 0.66918714 1.0 Zr Zr2 1 0.75000000 0.95367874 0.16347886 1.0 Zr Zr3 1 0.75000000 0.44635992 0.33207386 1.0 Al Al4 1 0.25000000 0.75525540 0.36327119 1.0 V V5 1 0.25000000 0.12512438 0.44443647 1.0 V V6 1 0.25000000 0.61860778 0.05364677 1.0 V V7 1 0.75000000 0.88351289 0.56053941 1.0 V V8 1 0.75000000 0.37478042 0.94238315 1.0 As As9 1 0.25000000 0.25457269 0.13749587 1.0 As As10 1 0.75000000 0.24813774 0.63889391 1.0 As As11 1 0.75000000 0.74393411 0.86320585 1.0