# generated using pymatgen data_Ta8CoSe8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44984200 _cell_length_b 17.06125200 _cell_length_c 22.74242500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta8CoSe8 _chemical_formula_sum 'Ta32 Co4 Se32' _cell_volume 1338.58783560 _cell_formula_units_Z 4 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 0.25000000 0.33430000 0.51693100 1.0 Ta Ta1 1 0.25000000 0.16570000 0.01693100 1.0 Ta Ta2 1 0.75000000 0.66570000 0.48306900 1.0 Ta Ta3 1 0.75000000 0.83430000 0.98306900 1.0 Ta Ta4 1 0.25000000 0.31725400 0.94259600 1.0 Ta Ta5 1 0.25000000 0.18274600 0.44259600 1.0 Ta Ta6 1 0.75000000 0.68274600 0.05740400 1.0 Ta Ta7 1 0.75000000 0.81725400 0.55740400 1.0 Ta Ta8 1 0.25000000 0.15869600 0.87708300 1.0 Ta Ta9 1 0.25000000 0.34130400 0.37708300 1.0 Ta Ta10 1 0.75000000 0.84130400 0.12291700 1.0 Ta Ta11 1 0.75000000 0.65869600 0.62291700 1.0 Ta Ta12 1 0.25000000 0.54175000 0.54480300 1.0 Ta Ta13 1 0.25000000 0.95825000 0.04480300 1.0 Ta Ta14 1 0.75000000 0.45825000 0.45519700 1.0 Ta Ta15 1 0.75000000 0.04175000 0.95519700 1.0 Ta Ta16 1 0.25000000 0.69653000 0.94587900 1.0 Ta Ta17 1 0.25000000 0.80347000 0.44587900 1.0 Ta Ta18 1 0.75000000 0.30347000 0.05412100 1.0 Ta Ta19 1 0.75000000 0.19653000 0.55412100 1.0 Ta Ta20 1 0.25000000 0.79285700 0.66725200 1.0 Ta Ta21 1 0.25000000 0.70714300 0.16725200 1.0 Ta Ta22 1 0.75000000 0.20714300 0.33274800 1.0 Ta Ta23 1 0.75000000 0.29285700 0.83274800 1.0 Ta Ta24 1 0.25000000 0.43879000 0.81513600 1.0 Ta Ta25 1 0.25000000 0.06121000 0.31513600 1.0 Ta Ta26 1 0.75000000 0.56121000 0.18486400 1.0 Ta Ta27 1 0.75000000 0.93879000 0.68486400 1.0 Ta Ta28 1 0.25000000 0.05205800 0.74544500 1.0 Ta Ta29 1 0.25000000 0.44794200 0.24544500 1.0 Ta Ta30 1 0.75000000 0.94794200 0.25455500 1.0 Ta Ta31 1 0.75000000 0.55205800 0.75455500 1.0 Co Co32 1 0.25000000 0.70907600 0.55442100 1.0 Co Co33 1 0.25000000 0.79092400 0.05442100 1.0 Co Co34 1 0.75000000 0.29092400 0.44557900 1.0 Co Co35 1 0.75000000 0.20907600 0.94557900 1.0 Se Se36 1 0.25000000 0.93112000 0.92608400 1.0 Se Se37 1 0.25000000 0.56888000 0.42608400 1.0 Se Se38 1 0.75000000 0.06888000 0.07391600 1.0 Se Se39 1 0.75000000 0.43112000 0.57391600 1.0 Se Se40 1 0.25000000 0.26803200 0.62095100 1.0 Se Se41 1 0.25000000 0.23196800 0.12095100 1.0 Se Se42 1 0.75000000 0.73196800 0.37904900 1.0 Se Se43 1 0.75000000 0.76803200 0.87904900 1.0 Se Se44 1 0.25000000 0.08731200 0.53094300 1.0 Se Se45 1 0.25000000 0.41268800 0.03094300 1.0 Se Se46 1 0.75000000 0.91268800 0.46905700 1.0 Se Se47 1 0.75000000 0.58731200 0.96905700 1.0 Se Se48 1 0.25000000 0.92434900 0.59789300 1.0 Se Se49 1 0.25000000 0.57565100 0.09789300 1.0 Se Se50 1 0.75000000 0.07565100 0.40210700 1.0 Se Se51 1 0.75000000 0.42434900 0.90210700 1.0 Se Se52 1 0.25000000 0.89576200 0.76365200 1.0 Se Se53 1 0.25000000 0.60423800 0.26365200 1.0 Se Se54 1 0.75000000 0.10423800 0.23634800 1.0 Se Se55 1 0.75000000 0.39576200 0.73634800 1.0 Se Se56 1 0.25000000 0.21290900 0.76890300 1.0 Se Se57 1 0.25000000 0.28709100 0.26890300 1.0 Se Se58 1 0.75000000 0.78709100 0.23109700 1.0 Se Se59 1 0.75000000 0.71290900 0.73109700 1.0 Se Se60 1 0.25000000 0.59065400 0.83515500 1.0 Se Se61 1 0.25000000 0.90934600 0.33515500 1.0 Se Se62 1 0.75000000 0.40934600 0.16484500 1.0 Se Se63 1 0.75000000 0.09065400 0.66484500 1.0 Se Se64 1 0.25000000 0.54971800 0.66248600 1.0 Se Se65 1 0.25000000 0.95028200 0.16248600 1.0 Se Se66 1 0.75000000 0.45028200 0.33751400 1.0 Se Se67 1 0.75000000 0.04971800 0.83751400 1.0