# generated using pymatgen data_As2Pd5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.35368592 _cell_length_b 7.35368592 _cell_length_c 13.81772511 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999373 _symmetry_Int_Tables_number 1 _chemical_formula_structural As2Pd5 _chemical_formula_sum 'As12 Pd30' _cell_volume 647.10888378 _cell_formula_units_Z 6 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 As As0 1 0.66666700 0.33333300 0.55288992 1.0 As As1 1 0.33333300 0.66666700 0.05288992 1.0 As As2 1 0.66666700 0.33333300 0.05288992 1.0 As As3 1 0.33333300 0.66666700 0.55288992 1.0 As As4 1 0.67333028 0.67333028 0.78264309 1.0 As As5 1 -0.00000000 0.32666972 0.78264309 1.0 As As6 1 0.32666972 0.32666972 0.28264309 1.0 As As7 1 0.00000000 0.67333028 0.28264309 1.0 As As8 1 0.32666972 -0.00000000 0.78264309 1.0 As As9 1 0.67333028 0.00000000 0.28264309 1.0 As As10 1 0.00000000 -0.00000000 0.01261351 1.0 As As11 1 0.00000000 -0.00000000 0.51261351 1.0 Pd Pd12 1 0.66666700 0.33333300 0.84036547 1.0 Pd Pd13 1 0.33333300 0.66666700 0.34036547 1.0 Pd Pd14 1 0.66666700 0.33333300 0.34036547 1.0 Pd Pd15 1 0.33333300 0.66666700 0.84036547 1.0 Pd Pd16 1 0.70398441 0.70398441 0.58894618 1.0 Pd Pd17 1 -0.00000000 0.29601559 0.58894618 1.0 Pd Pd18 1 0.29601559 0.29601559 0.08894618 1.0 Pd Pd19 1 0.00000000 0.70398441 0.08894618 1.0 Pd Pd20 1 0.29601559 -0.00000000 0.58894618 1.0 Pd Pd21 1 0.70398441 0.00000000 0.08894618 1.0 Pd Pd22 1 0.76014840 0.76014840 0.38215712 1.0 Pd Pd23 1 -0.00000000 0.23985160 0.38215712 1.0 Pd Pd24 1 0.23985160 0.23985160 0.88215712 1.0 Pd Pd25 1 0.00000000 0.76014840 0.88215712 1.0 Pd Pd26 1 0.23985160 -0.00000000 0.38215712 1.0 Pd Pd27 1 0.76014840 0.00000000 0.88215712 1.0 Pd Pd28 1 0.38709253 0.38709253 0.69421620 1.0 Pd Pd29 1 -0.00000000 0.61290747 0.69421620 1.0 Pd Pd30 1 0.61290747 0.61290747 0.19421620 1.0 Pd Pd31 1 0.00000000 0.38709253 0.19421620 1.0 Pd Pd32 1 0.61290747 -0.00000000 0.69421620 1.0 Pd Pd33 1 0.38709253 0.00000000 0.19421620 1.0 Pd Pd34 1 0.00000000 -0.00000000 0.71583252 1.0 Pd Pd35 1 0.00000000 -0.00000000 0.21583252 1.0 Pd Pd36 1 0.60238021 0.60238021 0.97471748 1.0 Pd Pd37 1 0.00000000 0.39761979 0.97471748 1.0 Pd Pd38 1 0.39761979 0.39761979 0.47471748 1.0 Pd Pd39 1 -0.00000000 0.60238021 0.47471748 1.0 Pd Pd40 1 0.39761979 0.00000000 0.97471748 1.0 Pd Pd41 1 0.60238021 -0.00000000 0.47471748 1.0