# generated using pymatgen data_TcB4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27936275 _cell_length_b 5.27936275 _cell_length_c 6.51324674 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999692 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcB4 _chemical_formula_sum 'Tc4 B16' _cell_volume 157.21398793 _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 Tc Tc0 1 0.33333300 0.66666700 0.25000000 1.0 Tc Tc1 1 0.66666700 0.33333300 0.75000000 1.0 Tc Tc2 1 0.00000000 -0.00000000 0.25000000 1.0 Tc Tc3 1 0.00000000 -0.00000000 0.75000000 1.0 B B4 1 0.33559836 0.33560132 0.50003315 1.0 B B5 1 0.66439868 -0.00000296 0.50003315 1.0 B B6 1 0.00000296 0.66440164 0.50003315 1.0 B B7 1 0.66439868 0.66440164 0.50003315 1.0 B B8 1 0.00000296 0.33560132 0.50003315 1.0 B B9 1 0.33559836 -0.00000296 0.50003315 1.0 B B10 1 0.66439868 0.66440164 0.99996685 1.0 B B11 1 0.33559836 -0.00000296 0.99996685 1.0 B B12 1 0.00000296 0.33560132 0.99996685 1.0 B B13 1 0.33559836 0.33560132 0.99996685 1.0 B B14 1 0.00000296 0.66440164 0.99996685 1.0 B B15 1 0.66439868 -0.00000296 0.99996685 1.0 B B16 1 0.33333300 0.66666700 0.88034918 1.0 B B17 1 0.66666700 0.33333300 0.11962462 1.0 B B18 1 0.66666700 0.33333300 0.38037538 1.0 B B19 1 0.33333300 0.66666700 0.61965082 1.0