# generated using pymatgen data_TbZr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32133724 _cell_length_b 3.32133724 _cell_length_c 10.56067003 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000951 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbZr3 _chemical_formula_sum 'Tb1 Zr3' _cell_volume 100.88997457 _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 Tb Tb0 1 0.33333302 0.66666698 0.00000000 1.0 Zr Zr1 1 0.33333303 0.66666697 0.50000000 1.0 Zr Zr2 1 0.99999997 0.00000003 0.26203353 1.0 Zr Zr3 1 0.99999997 0.00000003 0.73796647 1.0