# generated using pymatgen data_Zr2TiVAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60287961 _cell_length_b 6.85119386 _cell_length_c 8.31342891 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2TiVAs2 _chemical_formula_sum 'Zr4 Ti2 V2 As4' _cell_volume 205.20890099 _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 Zr Zr0 1 0.25000000 0.04910626 0.83486758 1.0 Zr Zr1 1 0.25000000 0.54910626 0.66513242 1.0 Zr Zr2 1 0.75000000 0.95729876 0.16838613 1.0 Zr Zr3 1 0.75000000 0.45729876 0.33161387 1.0 Ti Ti4 1 0.25000000 0.12600862 0.44307205 1.0 Ti Ti5 1 0.25000000 0.62600862 0.05692795 1.0 V V6 1 0.75000000 0.86745137 0.55942447 1.0 V V7 1 0.75000000 0.36745137 0.94057553 1.0 As As8 1 0.25000000 0.75714837 0.36373382 1.0 As As9 1 0.25000000 0.25714837 0.13626618 1.0 As As10 1 0.75000000 0.24298562 0.64097940 1.0 As As11 1 0.75000000 0.74298562 0.85902060 1.0