# generated using pymatgen data_Ta6Be6C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.71386076 _cell_length_b 7.71386105 _cell_length_c 7.71386159 _cell_angle_alpha 59.99999766 _cell_angle_beta 59.99999642 _cell_angle_gamma 60.00000379 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta6Be6C _chemical_formula_sum 'Ta12 Be12 C2' _cell_volume 324.56407227 _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 Ta Ta0 1 0.05158626 0.05158626 0.44841374 1.0 Ta Ta1 1 0.44841374 0.05158626 0.44841374 1.0 Ta Ta2 1 0.05158626 0.44841374 0.44841374 1.0 Ta Ta3 1 0.44841374 0.44841374 0.05158626 1.0 Ta Ta4 1 0.05158626 0.44841374 0.05158626 1.0 Ta Ta5 1 0.44841374 0.05158626 0.05158626 1.0 Ta Ta6 1 0.19841374 0.19841374 0.80158626 1.0 Ta Ta7 1 0.80158626 0.19841374 0.80158626 1.0 Ta Ta8 1 0.19841374 0.80158626 0.80158626 1.0 Ta Ta9 1 0.80158626 0.80158626 0.19841374 1.0 Ta Ta10 1 0.19841374 0.80158626 0.19841374 1.0 Ta Ta11 1 0.80158626 0.19841374 0.19841374 1.0 Be Be12 1 0.42368067 0.42368067 0.72896000 1.0 Be Be13 1 0.42368067 0.72896000 0.42368067 1.0 Be Be14 1 0.72896000 0.42368067 0.42368067 1.0 Be Be15 1 0.42368067 0.42368067 0.42368067 1.0 Be Be16 1 0.82631933 0.82631933 0.52104000 1.0 Be Be17 1 0.82631933 0.52104000 0.82631933 1.0 Be Be18 1 0.52104000 0.82631933 0.82631933 1.0 Be Be19 1 0.82631933 0.82631933 0.82631933 1.0 Be Be20 1 0.62500000 0.62500000 0.12500000 1.0 Be Be21 1 0.62500000 0.12500000 0.62500000 1.0 Be Be22 1 0.12500000 0.62500000 0.62500000 1.0 Be Be23 1 0.62500000 0.62500000 0.62500000 1.0 C C24 1 0.25000000 0.25000000 0.25000000 1.0 C C25 1 0.00000000 0.00000000 0.00000000 1.0