# generated using pymatgen data_Ta12Re6Tc5Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50809757 _cell_length_b 6.36441274 _cell_length_c 13.52316099 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00008542 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta12Re6Tc5Mo _chemical_formula_sum 'Ta12 Re6 Tc5 Mo1' _cell_volume 387.99833475 _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 Ta Ta0 1 0.50000000 0.24999206 0.00000000 1.0 Ta Ta1 1 0.50000000 0.75000794 0.00000000 1.0 Ta Ta2 1 0.99999833 0.24999612 0.16662813 1.0 Ta Ta3 1 0.99999833 0.75000388 0.16662813 1.0 Ta Ta4 1 0.49999768 0.24996426 0.33324831 1.0 Ta Ta5 1 0.49999768 0.75003674 0.33324831 1.0 Ta Ta6 1 0.00000000 0.25005915 0.50000000 1.0 Ta Ta7 1 0.00000000 0.74994185 0.50000000 1.0 Ta Ta8 1 0.50000332 0.24996426 0.66675169 1.0 Ta Ta9 1 0.50000332 0.75003674 0.66675169 1.0 Ta Ta10 1 0.00000167 0.24999612 0.83337187 1.0 Ta Ta11 1 0.00000167 0.75000388 0.83337187 1.0 Re Re12 1 0.00000000 0.00000000 0.00000000 1.0 Re Re13 1 0.49999868 0.50000000 0.16805502 1.0 Re Re14 1 0.99999784 0.00000000 0.33368625 1.0 Re Re15 1 0.50000100 0.50000000 0.50000000 1.0 Re Re16 1 0.00000216 0.00000000 0.66631375 1.0 Re Re17 1 0.50000232 0.50000000 0.83194498 1.0 Tc Tc18 1 0.50000068 0.00000000 0.16742417 1.0 Tc Tc19 1 0.99999716 0.50000000 0.33408205 1.0 Tc Tc20 1 0.50000100 0.00000000 0.50000000 1.0 Tc Tc21 1 0.00000284 0.50000000 0.66591795 1.0 Tc Tc22 1 0.50000132 0.00000000 0.83257683 1.0 Mo Mo23 1 0.00000000 0.50000000 0.00000000 1.0