# generated using pymatgen data_Ta3As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15299784 _cell_length_b 10.32439076 _cell_length_c 10.32439076 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3As _chemical_formula_sum 'Ta24 As8' _cell_volume 549.27372840 _cell_formula_units_Z 8 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 Ta Ta0 1 0.26636216 0.83778206 0.15601481 1.0 Ta Ta1 1 0.26636216 0.66221794 0.34398519 1.0 Ta Ta2 1 0.76636216 0.65601481 0.16221794 1.0 Ta Ta3 1 0.76636216 0.84398519 0.33778206 1.0 Ta Ta4 1 0.73363784 0.16221794 0.84398519 1.0 Ta Ta5 1 0.73363784 0.33778206 0.65601481 1.0 Ta Ta6 1 0.23363784 0.34398519 0.83778206 1.0 Ta Ta7 1 0.23363784 0.15601481 0.66221794 1.0 Ta Ta8 1 0.98746644 0.25756766 0.10077547 1.0 Ta Ta9 1 0.98746644 0.24243234 0.39922453 1.0 Ta Ta10 1 0.48746644 0.60077547 0.74243234 1.0 Ta Ta11 1 0.48746644 0.89922453 0.75756766 1.0 Ta Ta12 1 0.01253356 0.74243234 0.89922453 1.0 Ta Ta13 1 0.01253356 0.75756766 0.60077547 1.0 Ta Ta14 1 0.51253356 0.39922453 0.25756766 1.0 Ta Ta15 1 0.51253356 0.10077547 0.24243234 1.0 Ta Ta16 1 0.24325355 0.44522306 0.54114451 1.0 Ta Ta17 1 0.24325355 0.05477694 0.95885549 1.0 Ta Ta18 1 0.74325355 0.04114451 0.55477694 1.0 Ta Ta19 1 0.74325355 0.45885549 0.94522306 1.0 Ta Ta20 1 0.75674645 0.55477694 0.45885549 1.0 Ta Ta21 1 0.75674645 0.94522306 0.04114451 1.0 Ta Ta22 1 0.25674645 0.95885549 0.44522306 1.0 Ta Ta23 1 0.25674645 0.54114451 0.05477694 1.0 As As24 1 0.48625692 0.26477575 0.04361310 1.0 As As25 1 0.48625692 0.23522425 0.45638690 1.0 As As26 1 0.98625692 0.54361310 0.73522425 1.0 As As27 1 0.98625692 0.95638690 0.76477575 1.0 As As28 1 0.51374308 0.73522425 0.95638690 1.0 As As29 1 0.51374308 0.76477575 0.54361310 1.0 As As30 1 0.01374308 0.45638690 0.26477575 1.0 As As31 1 0.01374308 0.04361310 0.23522425 1.0