# generated using pymatgen data_Zr2Ta4C5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56865944 _cell_length_b 5.56865930 _cell_length_c 5.51344452 _cell_angle_alpha 80.97115811 _cell_angle_beta 80.97115169 _cell_angle_gamma 120.61521036 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Ta4C5 _chemical_formula_sum 'Zr2 Ta4 C5' _cell_volume 139.55995599 _cell_formula_units_Z 1 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 Zr Zr0 1 0.74561426 0.74561426 0.74472902 1.0 Zr Zr1 1 0.25438574 0.25438574 0.25527098 1.0 Ta Ta2 1 0.08843721 0.44052088 0.74559923 1.0 Ta Ta3 1 0.55947912 0.91156279 0.25440077 1.0 Ta Ta4 1 0.91156279 0.55947912 0.25440077 1.0 Ta Ta5 1 0.44052088 0.08843721 0.74559923 1.0 C C6 1 0.50000000 0.50000000 0.50000000 1.0 C C7 1 0.67285938 0.32714062 1.00000000 1.0 C C8 1 0.32714062 0.67285938 0.00000000 1.0 C C9 1 0.82691627 0.17308373 0.50000000 1.0 C C10 1 0.17308373 0.82691627 0.50000000 1.0