# generated using pymatgen data_Ta3Al2TcC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.29036971 _cell_length_b 8.29036945 _cell_length_c 8.29036814 _cell_angle_alpha 59.99999737 _cell_angle_beta 59.99999842 _cell_angle_gamma 59.99999789 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3Al2TcC _chemical_formula_sum 'Ta12 Al8 Tc4 C4' _cell_volume 402.90864014 _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 0.55861723 0.94138277 0.55861723 1.0 Ta Ta1 1 0.30861723 0.69138277 0.69138277 1.0 Ta Ta2 1 0.69138277 0.30861723 0.30861723 1.0 Ta Ta3 1 0.30861723 0.69138277 0.30861723 1.0 Ta Ta4 1 0.69138277 0.69138277 0.30861723 1.0 Ta Ta5 1 0.30861723 0.30861723 0.69138277 1.0 Ta Ta6 1 0.55861723 0.55861723 0.94138277 1.0 Ta Ta7 1 0.94138277 0.55861723 0.55861723 1.0 Ta Ta8 1 0.55861723 0.94138277 0.94138277 1.0 Ta Ta9 1 0.94138277 0.94138277 0.55861723 1.0 Ta Ta10 1 0.69138277 0.30861723 0.69138277 1.0 Ta Ta11 1 0.94138277 0.55861723 0.94138277 1.0 Al Al12 1 0.91628399 0.91628399 0.91628399 1.0 Al Al13 1 0.99884998 0.33371601 0.33371601 1.0 Al Al14 1 0.33371601 0.99884998 0.33371601 1.0 Al Al15 1 0.33371601 0.33371601 0.99884998 1.0 Al Al16 1 0.91628399 0.25115002 0.91628399 1.0 Al Al17 1 0.91628399 0.91628399 0.25115002 1.0 Al Al18 1 0.25115002 0.91628399 0.91628399 1.0 Al Al19 1 0.33371601 0.33371601 0.33371601 1.0 Tc Tc20 1 0.12500000 0.12500000 0.12500000 1.0 Tc Tc21 1 0.62500000 0.12500000 0.12500000 1.0 Tc Tc22 1 0.12500000 0.62500000 0.12500000 1.0 Tc Tc23 1 0.12500000 0.12500000 0.62500000 1.0 C C24 1 0.62500000 0.62500000 0.62500000 1.0 C C25 1 0.12500000 0.62500000 0.62500000 1.0 C C26 1 0.62500000 0.12500000 0.62500000 1.0 C C27 1 0.62500000 0.62500000 0.12500000 1.0