# generated using pymatgen data_Ta6Be4Ni2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.74449229 _cell_length_b 7.74449134 _cell_length_c 7.74449093 _cell_angle_alpha 59.99999328 _cell_angle_beta 59.99999735 _cell_angle_gamma 59.99999417 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta6Be4Ni2C _chemical_formula_sum 'Ta12 Be8 Ni4 C2' _cell_volume 328.44577348 _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 0.30057127 0.69942873 0.69942873 1.0 Ta Ta1 1 0.69942873 0.69942873 0.30057127 1.0 Ta Ta2 1 0.69942873 0.30057127 0.69942873 1.0 Ta Ta3 1 0.30057127 0.69942873 0.30057127 1.0 Ta Ta4 1 0.55057127 0.94942873 0.55057127 1.0 Ta Ta5 1 0.55057127 0.94942873 0.94942873 1.0 Ta Ta6 1 0.94942873 0.55057127 0.55057127 1.0 Ta Ta7 1 0.94942873 0.55057127 0.94942873 1.0 Ta Ta8 1 0.30057127 0.30057127 0.69942873 1.0 Ta Ta9 1 0.55057127 0.55057127 0.94942873 1.0 Ta Ta10 1 0.94942873 0.94942873 0.55057127 1.0 Ta Ta11 1 0.69942873 0.30057127 0.30057127 1.0 Be Be12 1 0.32584623 0.32584623 0.02246030 1.0 Be Be13 1 0.32584623 0.32584623 0.32584623 1.0 Be Be14 1 0.22753970 0.92415377 0.92415377 1.0 Be Be15 1 0.92415377 0.92415377 0.92415377 1.0 Be Be16 1 0.02246030 0.32584623 0.32584623 1.0 Be Be17 1 0.32584623 0.02246030 0.32584623 1.0 Be Be18 1 0.92415377 0.92415377 0.22753970 1.0 Be Be19 1 0.92415377 0.22753970 0.92415377 1.0 Ni Ni20 1 0.12500000 0.62500000 0.12500000 1.0 Ni Ni21 1 0.12500000 0.12500000 0.62500000 1.0 Ni Ni22 1 0.62500000 0.12500000 0.12500000 1.0 Ni Ni23 1 0.12500000 0.12500000 0.12500000 1.0 C C24 1 0.50000000 0.50000000 0.50000000 1.0 C C25 1 0.75000000 0.75000000 0.75000000 1.0