# generated using pymatgen data_TaNbReB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.04074899 _cell_length_b 6.04176712 _cell_length_c 3.29959141 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNbReB2 _chemical_formula_sum 'Ta2 Nb2 Re2 B4' _cell_volume 120.42452347 _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 0.17542389 0.32427363 0.50000000 1.0 Ta Ta1 1 0.67542389 0.17572637 0.50000000 1.0 Nb Nb2 1 0.82516179 0.67455089 0.50000000 1.0 Nb Nb3 1 0.32516179 0.82544911 0.50000000 1.0 Re Re4 1 0.49910354 0.49835061 0.00000000 1.0 Re Re5 1 0.99910354 0.00164939 0.00000000 1.0 B B6 1 0.11248009 0.61038823 0.00000000 1.0 B B7 1 0.61248009 0.88961177 0.00000000 1.0 B B8 1 0.38783170 0.11405224 0.00000000 1.0 B B9 1 0.88783170 0.38594776 0.00000000 1.0